------------------------------------
Reading input data for simulation 1.
------------------------------------

	KNOBS
	step_size 10
	pe_step_size   2
	SOLUTION 0  CaCl2
	        units            mmol/kgw
	        temp             25.0
	        pH               7.0     charge
	        pe               12.5    O2(g)   -0.68
	        Ca               0.6
	        Cl               1.2
	SOLUTION 1  Initial solution for column
	        units            mmol/kgw
	        temp             25.0
	        pH               7.0     charge
	        pe               12.5    O2(g)   -0.68
	        Na               1.0
	        K                0.2
	        N(5)             1.2
	END
-------------------------------------------
Beginning of initial solution calculations.
-------------------------------------------

Initial solution 0.	CaCl2

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Ca                6.000e-04   6.000e-04
	Cl                1.200e-03   1.200e-03

----------------------------Description of solution----------------------------

                                       pH  =   6.995      Charge balance
                                       pe  =  13.632      Equilibrium with O2(g)
     Specific Conductance (µS/cm,  25°C)  = 152
                         Density (g/cm³)  =   0.99710
                               Volume (L)  =   1.00298
                        Viscosity (mPa s)  =   0.89067
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   1.800e-03
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =   2.687e-21
                        Temperature (°C)  =  25.00
                  Electrical balance (eq)  =   4.260e-18
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =   4
                                  Total H  = 1.110124e+02
                                  Total O  = 5.550675e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   H+              1.057e-07   1.012e-07    -6.976    -6.995    -0.019      0.00
   OH-             1.049e-07   1.001e-07    -6.979    -7.000    -0.021     -4.10
   H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
Ca            6.000e-04
   Ca+2            6.000e-04   4.983e-04    -3.222    -3.302    -0.081    -18.10
   CaOH+           8.570e-10   8.175e-10    -9.067    -9.087    -0.020     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.144e-03    -2.921    -2.941    -0.021     18.08
   HCl             3.981e-11   3.988e-11   -10.400   -10.399     0.001     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -44.404   -44.404     0.000     28.61
O(0)          5.351e-04
   O2              2.675e-04   2.676e-04    -3.573    -3.572     0.000     30.40

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(298 K,   1 atm)

  H2(g)           -41.30    -44.40   -3.10  H2
  H2O(g)           -1.50     -0.00    1.50  H2O
  O2(g)            -0.68     -3.57   -2.89  O2	 Pressure   0.2 atm, phi 1.000

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

Initial solution 1.	Initial solution for column

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	K                 2.000e-04   2.000e-04
	N(5)              1.200e-03   1.200e-03
	Na                1.000e-03   1.000e-03

----------------------------Description of solution----------------------------

                                       pH  =   6.997      Charge balance
                                       pe  =  13.630      Equilibrium with O2(g)
     Specific Conductance (µS/cm,  25°C)  = 145
                         Density (g/cm³)  =   0.99711
                               Volume (L)  =   1.00301
                        Viscosity (mPa s)  =   0.89020
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   1.200e-03
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =  -9.247e-19
                        Temperature (°C)  =  25.00
                  Electrical balance (eq)  =  -9.243e-17
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =   3 (7 overall)
                                  Total H  = 1.110124e+02
                                  Total O  = 5.551035e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   H+              1.045e-07   1.007e-07    -6.981    -6.997    -0.016      0.00
   OH-             1.045e-07   1.005e-07    -6.981    -6.998    -0.017     -4.10
   H2O             5.551e+01   1.000e+00     1.744    -0.000     0.000     18.07
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -44.404   -44.404     0.000     28.61
K             2.000e-04
   K+              2.000e-04   1.923e-04    -3.699    -3.716    -0.017      9.01
N(5)          1.200e-03
   NO3-            1.200e-03   1.154e-03    -2.921    -2.938    -0.017     29.49
Na            1.000e-03
   Na+             1.000e-03   9.621e-04    -3.000    -3.017    -0.017     -1.47
   NaOH            9.666e-21   9.668e-21   -20.015   -20.015     0.000     (0)  
O(0)          5.351e-04
   O2              2.676e-04   2.676e-04    -3.573    -3.572     0.000     30.40

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(298 K,   1 atm)

  H2(g)           -41.30    -44.40   -3.10  H2
  H2O(g)           -1.50     -0.00    1.50  H2O
  O2(g)            -0.68     -3.57   -2.89  O2	 Pressure   0.2 atm, phi 1.000

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

	EXCHANGE 1
	NaX 1
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 3.
------------------------------------

	EQUILIBRIUM_PHASES 1
	Calcite 0 1
	Dolomite 0 1
	Goethite 0 0.5
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 4.
------------------------------------

	SURFACE 1
	    Hfo_wOH Goethite        equilibrium_phase 0.1    600
	    Hfo_sOH Goethite        equilibrium_phase 0.01
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 5.
------------------------------------

	SOLID_SOLUTIONS 1
	    Sulfate
	        component Anhydrite 0.2
	        component Barite 0.001
	GAS_PHASE 1
	fixed_volume
	CO2(g) 0.3
	Ntg(g) 0.7
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 6.
------------------------------------

	KINETICS 1
	K-feldspar
	  m0 2.18            # 10% Kspar, 0.1 mm cubes
	  m  2.18            # Moles per L pore space
	  parms 6.41  0.1    # m^2/mol Kspar, fraction adjusts lab rate to field rate
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 7.
------------------------------------

	CALCULATE_VALUES
	SAR
	10 if [TOT("Ca") + TOT("Mg")] > 0 THEN SAR = TOT("Na") / SQRT(0.5*[TOT("Ca") + TOT("Mg")])       ELSE SAR = 1e4
	20 SAVE SAR
	USER_PRINT
	10 PRINT "SAR: ", CALC_VALUE("SAR")
	END
------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 8.
------------------------------------

	RUN_CELLS
	-cells 1
	-time 0
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 1.	Initial solution for column
Using exchange 1.	
Using surface 1.	
Using pure phase assemblage 1.	
Using solid solution assemblage 1.	
Using gas phase 1.	
Using kinetics 1.	

Kinetics 1.	

	Time step: 0 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -0.000e+00   2.180e+00   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.69      atmospheres          (Peng-Robinson calculation)
    Gas volume:   1.00e+00 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99968  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.58   2.623e-03  0.997   1.228e-02   1.072e-04  -1.217e-02
Ntg(g)            -0.16   6.907e-01  1.000   2.866e-02   2.824e-02  -4.169e-04

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.48     -8.48    1.000e+00   1.133e+00   1.328e-01
Dolomite          0.00   -17.08    -17.08    1.000e+00   9.309e-01  -6.907e-02
Goethite         -0.00    -1.00     -1.00    5.000e-01   5.000e-01  -3.513e-14

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     5.56e-03
                              Anhydrite     4.56e-03    -1.95e-01     8.20e-01
                                 Barite     1.00e-03    -1.29e-07     1.80e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  7.312e-05  Surface charge, eq
	  2.352e-02  sigma, C/m²
	  1.539e-02  psi, V
	 -5.991e-01  -F*psi/RT
	  5.493e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  3.000e+02  m² for   5.000e-01 moles of Goethite


Hfo_s         
	  5.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       4.852e-03       0.970   4.852e-03      -2.314
	Hfo_sOH           1.063e-04       0.021   1.062e-04      -3.974
	Hfo_sOH2+         3.418e-05       0.007   3.418e-05      -4.466
	Hfo_sO-           7.567e-06       0.002   7.566e-06      -5.121
	Hfo_sOHBa+2       8.920e-09       0.000   8.919e-09      -8.050
	Hfo_sOFe+         4.801e-22       0.000   4.801e-22     -21.319

Hfo_w         
	  5.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           1.312e-02       0.262   1.312e-02      -1.882
	Hfo_wHCO3         1.015e-02       0.203   1.015e-02      -1.993
	Hfo_wOMg+         7.344e-03       0.147   7.343e-03      -2.134
	Hfo_wOHSO4-2      7.156e-03       0.143   7.155e-03      -2.145
	Hfo_wCO3-         5.361e-03       0.107   5.361e-03      -2.271
	Hfo_wOH2+         4.220e-03       0.084   4.219e-03      -2.375
	Hfo_wSO4-         1.163e-03       0.023   1.163e-03      -2.934
	Hfo_wO-           9.342e-04       0.019   9.341e-04      -3.030
	Hfo_wOCa+         5.496e-04       0.011   5.495e-04      -3.260
	Hfo_wOBa+         1.460e-11       0.000   1.460e-11     -10.836
	Hfo_wOFe+         5.532e-22       0.000   5.531e-22     -21.257
	Hfo_wOFeOH        8.952e-23       0.000   8.951e-23     -22.048

-----------------------------Exchange composition------------------------------

X                1.000e+00 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               6.770e-01   6.770e-01   6.770e-01    -0.143
	CaX2              1.132e-01   2.265e-01   2.265e-01    -0.574
	MgX2              4.817e-02   9.635e-02   9.635e-02    -0.527
	KX                1.829e-04   1.829e-04   1.829e-04    -0.185
	BaX2              1.044e-07   2.088e-07   2.088e-07    -0.654
	FeX2              6.883e-23   1.377e-22   1.377e-22    -0.585
	NH4X              1.014e-63   1.014e-63   1.014e-63    -0.218

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Ba                1.605e-08   1.605e-08
	C                 2.031e-03   2.031e-03
	Ca                1.309e-02   1.309e-02
	Fe                3.507e-14   3.507e-14
	K                 1.709e-05   1.709e-05
	Mg                1.355e-02   1.355e-02
	N                 1.200e-03   1.200e-03
	Na                3.240e-01   3.240e-01
	Ntg               4.168e-04   4.169e-04
	S                 1.871e-01   1.871e-01

----------------------------Description of solution----------------------------

                                       pH  =   7.522      Charge balance
                                       pe  =  13.117      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  25°C)  = 25999
                         Density (g/cm³)  =   1.02053
                               Volume (L)  =   1.00593
                        Viscosity (mPa s)  =   0.97088
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.347e-01
                       Mass of water (kg)  =   1.000e+00
                 Total alkalinity (eq/kg)  =   1.967e-03
                       Total CO2 (mol/kg)  =   2.031e-03
                        Temperature (°C)  =  25.00
                           Pressure (atm)  =  0.69
                  Electrical balance (eq)  =  -7.312e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  30
                                  Total H  = 1.110235e+02
                                  Total O  = 5.626943e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             5.192e-07   3.343e-07    -6.285    -6.476    -0.191     -3.04
   H+              3.905e-08   3.003e-08    -7.408    -7.522    -0.114      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.07
Ba            1.605e-08
   BaSO4           1.168e-08   1.291e-08    -7.933    -7.889     0.043     (0)  
   Ba+2            4.351e-09   9.648e-10    -8.361    -9.016    -0.654    -11.31
   BaHCO3+         1.655e-11   1.209e-11   -10.781   -10.917    -0.136     (0)  
   BaCO3           9.208e-13   1.018e-12   -12.036   -11.992     0.043    -10.70
   BaOH+           1.566e-15   1.080e-15   -14.805   -14.967    -0.161     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -144.812  -144.769     0.043     35.45
C(4)          2.031e-03
   HCO3-           1.869e-03   1.308e-03    -2.728    -2.883    -0.155     26.03
   CO2             8.055e-05   8.903e-05    -4.094    -4.050     0.043     34.43
   CaHCO3+         3.789e-05   2.706e-05    -4.421    -4.568    -0.146      9.93
   MgHCO3+         2.824e-05   1.865e-05    -4.549    -4.729    -0.180      5.78
   CO3-2           8.512e-06   2.042e-06    -5.070    -5.690    -0.620     -1.24
   CaCO3           5.033e-06   5.563e-06    -5.298    -5.255     0.043    -14.60
   MgCO3           2.148e-06   2.375e-06    -5.668    -5.624     0.043    -17.09
   (CO2)2          1.316e-10   1.455e-10    -9.881    -9.837     0.043     68.87
   BaHCO3+         1.655e-11   1.209e-11   -10.781   -10.917    -0.136     (0)  
   BaCO3           9.208e-13   1.018e-12   -12.036   -11.992     0.043    -10.70
   FeHCO3+         3.940e-25   2.880e-25   -24.405   -24.541    -0.136     (0)  
   FeCO3           9.759e-26   1.079e-25   -25.011   -24.967     0.043     (0)  
Ca            1.309e-02
   CaSO4           6.965e-03   7.699e-03    -2.157    -2.114     0.043      7.50
   Ca+2            6.082e-03   1.622e-03    -2.216    -2.790    -0.574    -16.91
   CaHCO3+         3.789e-05   2.706e-05    -4.421    -4.568    -0.146      9.93
   CaCO3           5.033e-06   5.563e-06    -5.298    -5.255     0.043    -14.60
   CaOH+           1.216e-08   8.888e-09    -7.915    -8.051    -0.136     (0)  
   CaHSO4+         2.079e-09   1.520e-09    -8.682    -8.818    -0.136     (0)  
Fe(2)         1.845e-23
   FeSO4           9.458e-24   1.045e-23   -23.024   -22.981     0.043     18.97
   Fe+2            8.468e-24   2.202e-24   -23.072   -23.657    -0.585    -20.94
   FeHCO3+         3.940e-25   2.880e-25   -24.405   -24.541    -0.136     (0)  
   FeCO3           9.759e-26   1.079e-25   -25.011   -24.967     0.043     (0)  
   FeOH+           3.335e-26   2.300e-26   -25.477   -25.638    -0.161     (0)  
   Fe(OH)2         5.849e-30   6.464e-30   -29.233   -29.189     0.043     (0)  
   FeHSO4+         2.823e-30   2.064e-30   -29.549   -29.685    -0.136     (0)  
   Fe(OH)3-        1.150e-32   7.932e-33   -31.939   -32.101    -0.161     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -295.846  -295.803     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -434.177  -434.313    -0.136     (0)  
Fe(3)         3.507e-14
   Fe(OH)3         2.472e-14   2.732e-14   -13.607   -13.564     0.043     (0)  
   Fe(OH)2+        9.175e-15   6.421e-15   -14.037   -14.192    -0.155     (0)  
   Fe(OH)4-        1.176e-15   8.228e-16   -14.930   -15.085    -0.155     (0)  
   FeOH+2          2.597e-18   5.872e-19   -17.585   -18.231    -0.646     (0)  
   FeSO4+          1.169e-21   8.060e-22   -20.932   -21.094    -0.161     (0)  
   Fe(SO4)2-       6.441e-22   4.707e-22   -21.191   -21.327    -0.136     (0)  
   Fe+3            2.925e-23   2.754e-24   -22.534   -23.560    -1.026     (0)  
   FeHSO4+2        2.272e-28   6.482e-29   -27.644   -28.188    -0.545     (0)  
   Fe2(OH)2+4      1.399e-33   9.280e-36   -32.854   -35.032    -2.178     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.501   -46.905    -3.404     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -44.472   -44.429     0.043     28.61
K             1.709e-05
   K+              1.502e-05   9.816e-06    -4.823    -5.008    -0.185      9.52
   KSO4-           2.072e-06   9.631e-07    -5.684    -6.016    -0.333     30.64
Mg            1.355e-02
   MgSO4           6.973e-03   8.518e-03    -2.157    -2.070     0.087     -0.83
   Mg+2            4.100e-03   1.219e-03    -2.387    -2.914    -0.527    -20.63
   Mg(SO4)2-2      2.447e-03   7.490e-04    -2.611    -3.126    -0.514     47.09
   MgHCO3+         2.824e-05   1.865e-05    -4.549    -4.729    -0.180      5.78
   MgCO3           2.148e-06   2.375e-06    -5.668    -5.624     0.043    -17.09
   MgOH+           2.016e-07   1.461e-07    -6.696    -6.835    -0.140     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -63.980   -64.198    -0.218     18.36
   NH4SO4-         0.000e+00   0.000e+00   -64.335   -64.671    -0.336     39.02
   NH3             0.000e+00   0.000e+00   -65.963   -65.920     0.043     24.42
N(0)          4.675e-21
   N2              2.338e-21   2.584e-21   -20.631   -20.588     0.043     29.29
N(3)          2.364e-16
   NO2-            2.364e-16   1.479e-16   -15.626   -15.830    -0.204     25.56
N(5)          1.200e-03
   NO3-            1.200e-03   7.504e-04    -2.921    -3.125    -0.204     30.12
Na            3.240e-01
   Na+             2.786e-01   2.005e-01    -0.555    -0.698    -0.143     -0.69
   NaSO4-          4.536e-02   2.091e-02    -1.343    -1.680    -0.336     19.12
   NaOH            6.065e-18   6.703e-18   -17.217   -17.174     0.043     (0)  
Ntg           4.168e-04
   Ntg             4.168e-04   4.607e-04    -3.380    -3.337     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.957e-04    -3.573    -3.529     0.043     30.40
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -140.356  -140.548    -0.191     21.20
   H2S             0.000e+00   0.000e+00  -141.172  -141.128     0.043     36.28
   S-2             0.000e+00   0.000e+00  -145.298  -145.943    -0.646     (0)  
   (H2S)2          0.000e+00   0.000e+00  -283.578  -283.535     0.043     30.08
   Fe(HS)2         0.000e+00   0.000e+00  -295.846  -295.803     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -434.177  -434.313    -0.136     (0)  
S(6)          1.871e-01
   SO4-2           1.229e-01   2.670e-02    -0.910    -1.574    -0.663     17.16
   NaSO4-          4.536e-02   2.091e-02    -1.343    -1.680    -0.336     19.12
   MgSO4           6.973e-03   8.518e-03    -2.157    -2.070     0.087     -0.83
   CaSO4           6.965e-03   7.699e-03    -2.157    -2.114     0.043      7.50
   Mg(SO4)2-2      2.447e-03   7.490e-04    -2.611    -3.126    -0.514     47.09
   KSO4-           2.072e-06   9.631e-07    -5.684    -6.016    -0.333     30.64
   HSO4-           1.067e-07   7.795e-08    -6.972    -7.108    -0.136     40.83
   BaSO4           1.168e-08   1.291e-08    -7.933    -7.889     0.043     (0)  
   CaHSO4+         2.079e-09   1.520e-09    -8.682    -8.818    -0.136     (0)  
   FeSO4+          1.169e-21   8.060e-22   -20.932   -21.094    -0.161     (0)  
   Fe(SO4)2-       6.441e-22   4.707e-22   -21.191   -21.327    -0.136     (0)  
   FeSO4           9.458e-24   1.045e-23   -23.024   -22.981     0.043     18.97
   FeHSO4+2        2.272e-28   6.482e-29   -27.644   -28.188    -0.545     (0)  
   FeHSO4+         2.823e-30   2.064e-30   -29.549   -29.685    -0.136     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -64.335   -64.671    -0.336     39.02

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(298 K,   1 atm)

  Anhydrite        -0.09     -4.36   -4.28  CaSO4
  Aragonite        -0.14     -8.48   -8.34  CaCO3
  Arcanite         -9.71    -11.59   -1.88  K2SO4
  Barite           -0.75    -10.59   -9.84  BaSO4
  Calcite           0.00     -8.48   -8.48  CaCO3
  CH4(g)         -141.97   -144.77   -2.80  CH4
  CO2(g)           -2.58     -4.05   -1.47  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.08  -17.08  CaMg(CO3)2
  Epsomite         -2.77     -4.51   -1.74  MgSO4:7H2O
  Fe(OH)3(a)       -5.89     -1.00    4.89  Fe(OH)3
  FeS(ppt)       -152.77   -156.68   -3.92  FeS
  Goethite         -0.00     -1.00   -1.00  FeOOH
  Gypsum            0.21     -4.37   -4.58  CaSO4:2H2O
  H2(g)           -41.33    -44.43   -3.10  H2
  H2O(g)           -1.51     -0.00    1.50  H2O
  H2S(g)         -140.13   -148.07   -7.94  H2S
  Hematite          2.01     -2.00   -4.01  Fe2O3
  Hexahydrite      -2.94     -4.51   -1.57  MgSO4:6H2O
  Jarosite-K      -24.51    -33.72   -9.21  KFe3(SO4)2(OH)6
  Kieserite        -3.33     -4.49   -1.16  MgSO4:H2O
  Mackinawite    -152.03   -156.68   -4.65  FeS
  Melanterite     -23.05    -25.26   -2.21  FeSO4:7H2O
  Mirabilite       -1.76     -3.00   -1.24  Na2SO4:10H2O
  N2(g)           -17.41    -20.59   -3.18  N2
  NH3(g)          -67.72    -65.92    1.80  NH3
  Ntg(g)           -0.16     -3.34   -3.18  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.64     -3.53   -2.89  O2
  Pyrite         -244.99   -263.47  -18.48  FeS2
  Siderite        -18.46    -29.35  -10.89  FeCO3
  Sulfur         -104.73    -99.85    4.88  S
  Thenardite       -2.67     -2.97   -0.30  Na2SO4
  Witherite        -6.14    -14.71   -8.56  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 9.
------------------------------------

-------------------------------
End of Run after 4.618 Seconds.
-------------------------------

SetValues variables and units:
  0                                      Concentrations   mol/L
  1                                         DensityUser   kg L-1
  2                                          FilePrefix   prefix
  3                                   NthSelectedOutput   id
  4                                      SaturationUser   unitless
  5                                                Time   s
  6                                            TimeStep   s
  7                                            Porosity   unitless
  8                                            Pressure   atm
  9                                    SelectedOutputOn   bool
  10                                         Temperature   C
GetValues variables and units:
  0                                      ComponentCount   count
  1                                          Components   names
  2                                      Concentrations   mol/L
  3                                   DensityCalculated   kg L-1
  4                                         ErrorString   error
  5                                          FilePrefix   prefix
  6                                                 Gfw   g mol-1
  7                                       GridCellCount   count
  8                                SaturationCalculated   unitless
  9                                      SelectedOutput   user specified
  10                           SelectedOutputColumnCount   count
  11                                 SelectedOutputCount   count
  12                              SelectedOutputHeadings   names
  13                              SelectedOutputRowCount   count
  14                                      SolutionVolume   L
  15                                                Time   s
  16                                            TimeStep   s
  17                     CurrentSelectedOutputUserNumber   id
  18                                            Porosity   unitless
  19                                            Pressure   atm
  20                                    SelectedOutputOn   bool
  21                                         Temperature   C
  22                                           Viscosity   mPa s
  23                                 calculate_value_sar   unknown
  24              equilibrium_phases_delta_moles_Calcite   mol
  25             equilibrium_phases_delta_moles_Dolomite   mol
  26             equilibrium_phases_delta_moles_Goethite   mol
  27                    equilibrium_phases_moles_Calcite   mol
  28                   equilibrium_phases_moles_Dolomite   mol
  29                   equilibrium_phases_moles_Goethite   mol
  30              exchange_X_species_log_molality_AlOHX2   log mol kgw-1
  31                exchange_X_species_log_molality_AlX3   log mol kgw-1
  32                exchange_X_species_log_molality_BaX2   log mol kgw-1
  33                exchange_X_species_log_molality_CaX2   log mol kgw-1
  34                exchange_X_species_log_molality_FeX2   log mol kgw-1
  35                  exchange_X_species_log_molality_KX   log mol kgw-1
  36                exchange_X_species_log_molality_MgX2   log mol kgw-1
  37                 exchange_X_species_log_molality_NaX   log mol kgw-1
  38                  exchange_X_species_log_molality_X-   log mol kgw-1
  39                           exchange_total_molality_X   mol kgw-1
  40                              gas_phase_moles_CO2(g)   mol
  41                              gas_phase_moles_Ntg(g)   mol
  42                                gas_phase_phi_CO2(g)   atm-1
  43                                gas_phase_phi_Ntg(g)   atm-1
  44                           gas_phase_pressure_CO2(g)   atm
  45                           gas_phase_pressure_Ntg(g)   atm
  46                                    gas_phase_volume   L
  47             kinetic_reaction_delta_moles_K-feldspar   mol
  48                   kinetic_reaction_moles_K-feldspar   mol
  49              solid_solution_Sulfate_moles_Anhydrite   mol
  50                 solid_solution_Sulfate_moles_Barite   mol
  51                                 solution_alkalinity   eq kgw-1
  52                             solution_charge_balance   eq kgw-1
  53                             solution_ionic_strength   mol kgw-1
  54                                         solution_pe   -
  55                              solution_percent_error   -
  56                                         solution_ph   -
  57                       solution_specific_conductance   uS cm-1
  58                          solution_total_molality_Al   mol kgw-1
  59                          solution_total_molality_Ba   mol kgw-1
  60                           solution_total_molality_C   mol kgw-1
  61                       solution_total_molality_C(-4)   mol kgw-1
  62                        solution_total_molality_C(4)   mol kgw-1
  63                          solution_total_molality_Ca   mol kgw-1
  64                          solution_total_molality_Cl   mol kgw-1
  65                          solution_total_molality_Fe   mol kgw-1
  66                       solution_total_molality_Fe(2)   mol kgw-1
  67                       solution_total_molality_Fe(3)   mol kgw-1
  68                           solution_total_molality_H   mol kgw-1
  69                        solution_total_molality_H(0)   mol kgw-1
  70                        solution_total_molality_H(1)   mol kgw-1
  71                           solution_total_molality_K   mol kgw-1
  72                          solution_total_molality_Mg   mol kgw-1
  73                           solution_total_molality_N   mol kgw-1
  74                       solution_total_molality_N(-3)   mol kgw-1
  75                        solution_total_molality_N(0)   mol kgw-1
  76                        solution_total_molality_N(3)   mol kgw-1
  77                        solution_total_molality_N(5)   mol kgw-1
  78                          solution_total_molality_Na   mol kgw-1
  79                         solution_total_molality_Ntg   mol kgw-1
  80                           solution_total_molality_O   mol kgw-1
  81                       solution_total_molality_O(-2)   mol kgw-1
  82                        solution_total_molality_O(0)   mol kgw-1
  83                           solution_total_molality_S   mol kgw-1
  84                       solution_total_molality_S(-2)   mol kgw-1
  85                        solution_total_molality_S(6)   mol kgw-1
  86                          solution_total_molality_Si   mol kgw-1
  87                                 solution_water_mass   kg
  88          surface_Hfo_s_species_log_molality_Hfo_sO-   log mol kgw-1
  89        surface_Hfo_s_species_log_molality_Hfo_sOFe+   log mol kgw-1
  90          surface_Hfo_s_species_log_molality_Hfo_sOH   log mol kgw-1
  91        surface_Hfo_s_species_log_molality_Hfo_sOH2+   log mol kgw-1
  92      surface_Hfo_s_species_log_molality_Hfo_sOHBa+2   log mol kgw-1
  93      surface_Hfo_s_species_log_molality_Hfo_sOHCa+2   log mol kgw-1
  94        surface_Hfo_w_species_log_molality_Hfo_wCO3-   log mol kgw-1
  95     surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-   log mol kgw-1
  96      surface_Hfo_w_species_log_molality_Hfo_wH3SiO4   log mol kgw-1
  97        surface_Hfo_w_species_log_molality_Hfo_wHCO3   log mol kgw-1
  98     surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2   log mol kgw-1
  99          surface_Hfo_w_species_log_molality_Hfo_wO-   log mol kgw-1
  100        surface_Hfo_w_species_log_molality_Hfo_wOBa+   log mol kgw-1
  101        surface_Hfo_w_species_log_molality_Hfo_wOCa+   log mol kgw-1
  102        surface_Hfo_w_species_log_molality_Hfo_wOFe+   log mol kgw-1
  103       surface_Hfo_w_species_log_molality_Hfo_wOFeOH   log mol kgw-1
  104          surface_Hfo_w_species_log_molality_Hfo_wOH   log mol kgw-1
  105        surface_Hfo_w_species_log_molality_Hfo_wOH2+   log mol kgw-1
  106     surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2   log mol kgw-1
  107        surface_Hfo_w_species_log_molality_Hfo_wOMg+   log mol kgw-1
  108        surface_Hfo_w_species_log_molality_Hfo_wSO4-   log mol kgw-1
  109                        surface_total_molality_Hfo_s   mol kgw-1
  110                        surface_total_molality_Hfo_w   mol kgw-1

Database:                                         phreeqc.dat
Number of threads:                                3
Number of MPI processes:                          1
MPI task number:                                  0
File prefix:                                      AdvectBMI_cpp_test
Number of grid cells in the user's model:         20
Number of chemistry cells in the reaction module: 20
Number of components for transport:               16
Partioning of UZ solids:                          0
Error handler mode:                               1
         H    1.008
         O    16
    Charge    1
        Al    26.9815
        Ba    137.34
         C    12.0111
        Ca    40.08
        Cl    35.453
        Fe    55.847
         K    39.102
        Mg    24.312
         N    14.0067
        Na    22.9898
       Ntg    28.0134
         S    32.064
        Si    28.0843

Time:                   10
Chemistry cell:         0
Grid cell(s) (0-based): 0 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      0
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

WARNING: Numerical method failed, switching to numerical derivatives.
WARNING: Maximum iterations exceeded, 100

WARNING: Numerical method failed with this set of convergence parameters.

WARNING: Trying reduced tolerance 1e-16 ...

Using solution 0.	Solution after simulation 1.
Using exchange 0.	Exchange assemblage after simulation 1.
Using surface 0.	
Using pure phase assemblage 0.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 0.	Solid solution assemblage after simulation 1
Using gas phase 0.	Gas phase after simulation 1.
Using kinetics 0.	

Kinetics 0.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -3.366e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.0544e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.57      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   4.20e+01 liters/mole
   P * Vm / RT:  0.99971  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -4.60   2.520e-05  0.998   3.197e-07   2.096e-07  -1.101e-07
Ntg(g)            -0.24   5.729e-01  1.000   4.846e-03   4.765e-03  -8.184e-05

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.287e-01   2.289e-01   1.165e-04
Dolomite          0.00   -17.00    -17.00    1.799e-01   1.795e-01  -4.134e-04
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01  -2.644e-14

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00     0.00e+00     0.00e+00
                                 Barite     0.00e+00     0.00e+00     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -3.972e-06  Surface charge, eq
	 -6.389e-03  sigma, C/m²
	 -2.970e-02  psi, V
	  1.176e+00  -F*psi/RT
	  3.241e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       5.594e-04       0.559   2.806e-03      -2.552
	Hfo_sO-           3.058e-04       0.306   1.534e-03      -2.814
	Hfo_sOH           1.251e-04       0.125   6.274e-04      -3.202
	Hfo_sOHBa+2       8.501e-06       0.009   4.263e-05      -4.370
	Hfo_sOH2+         1.172e-06       0.001   5.880e-06      -5.231
	Hfo_sOFe+         1.268e-23       0.000   6.357e-23     -22.197

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wO-           4.302e-03       0.430   2.158e-02      -1.666
	Hfo_wOMg+         3.432e-03       0.343   1.721e-02      -1.764
	Hfo_wOH           1.760e-03       0.176   8.827e-03      -2.054
	Hfo_wOCa+         2.478e-04       0.025   1.243e-03      -2.906
	Hfo_wCO3-         2.289e-04       0.023   1.148e-03      -2.940
	Hfo_wOH2+         1.650e-05       0.002   8.273e-05      -4.082
	Hfo_wHCO3         1.263e-05       0.001   6.335e-05      -4.198
	Hfo_wOBa+         5.444e-08       0.000   2.730e-07      -6.564
	Hfo_wHSiO4-2      7.669e-09       0.000   3.846e-08      -7.415
	Hfo_wH2SiO4-      1.088e-09       0.000   5.456e-09      -8.263
	Hfo_wH3SiO4       1.654e-11       0.000   8.292e-11     -10.081
	Hfo_wOHSO4-2      2.016e-23       0.000   1.011e-22     -21.995
	Hfo_wOFeOH        9.318e-24       0.000   4.673e-23     -22.330
	Hfo_wOFe+         1.664e-24       0.000   8.347e-24     -23.078
	Hfo_wSO4-         9.473e-26       0.000   4.751e-25     -24.323

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.122e-01   1.122e-01   5.609e-01    -0.039
	CaX2              2.937e-02   5.873e-02   2.937e-01    -0.153
	MgX2              1.433e-02   2.867e-02   1.433e-01    -0.151
	BaX2              1.913e-04   3.826e-04   1.913e-03    -0.157
	KX                3.526e-05   3.526e-05   1.763e-04    -0.040
	AlOHX2            3.012e-17   6.025e-17   3.012e-16     0.039
	AlX3              2.714e-20   8.141e-20   4.070e-19    -0.316
	FeX2              1.213e-25   2.426e-25   1.213e-24    -0.151

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.688e-09   3.366e-10
	Ba                4.097e-08   8.169e-09
	C                 4.131e-03   8.238e-04
	Ca                1.212e-05   2.417e-06
	Cl                1.200e-03   2.393e-04
	Fe                1.324e-13   2.640e-14
	K                 3.935e-07   7.846e-08
	Mg                7.664e-06   1.528e-06
	Na                6.462e-03   1.289e-03
	Ntg               4.104e-04   8.184e-05
	S                 2.845e-20   5.673e-21
	Si                9.408e-13   1.876e-13

----------------------------Description of solution----------------------------

                                       pH  =   9.829      Charge balance
                                       pe  =  11.220      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 573
                         Density (g/cm³)  =   0.99855
                               Volume (L)  =   0.19979
                        Viscosity (mPa s)  =   1.00429
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   7.610e-03
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   5.302e-03
                       Total CO2 (mol/kg)  =   4.131e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.57
                  Electrical balance (eq)  =   8.258e-08
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =  93 (194 overall)
                                  Total H  = 2.213678e+01
                                  Total O  = 1.107067e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             5.061e-05   4.615e-05    -4.296    -4.336    -0.040     -4.27
   H+              1.608e-10   1.483e-10    -9.794    -9.829    -0.035      0.00
   H2O             5.551e+01   9.998e-01     1.744    -0.000     0.000     18.05
Al            1.688e-09
   Al(OH)4-        1.688e-09   1.543e-09    -8.773    -8.812    -0.039     (0)  
   Al(OH)3         1.288e-13   1.290e-13   -12.890   -12.889     0.001     (0)  
   Al(OH)2+        2.076e-16   1.901e-16   -15.683   -15.721    -0.038     (0)  
   AlOH+2          8.020e-21   5.640e-21   -20.096   -20.249    -0.153    -27.42
   Al+3            2.421e-25   1.170e-25   -24.616   -24.932    -0.316    -41.62
   AlSO4+          0.000e+00   0.000e+00   -41.131   -41.170    -0.039     (0)  
   AlHSO4+2        0.000e+00   0.000e+00   -51.911   -52.069    -0.158     (0)  
   Al(SO4)2-       0.000e+00   0.000e+00   -59.351   -59.390    -0.039     (0)  
Ba            4.097e-08
   Ba+2            3.222e-08   2.243e-08    -7.492    -7.649    -0.157    -12.88
   BaCO3           8.188e-09   8.203e-09    -8.087    -8.086     0.001    -10.75
   BaHCO3+         5.544e-10   5.063e-10    -9.256    -9.296    -0.039     (0)  
   BaOH+           5.600e-12   5.124e-12   -11.252   -11.290    -0.039     (0)  
   BaSO4           2.190e-25   2.194e-25   -24.660   -24.659     0.001     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -149.317  -149.317     0.001     35.01
C(4)          4.131e-03
   HCO3-           3.009e-03   2.756e-03    -2.522    -2.560    -0.038     24.07
   CO3-2           1.113e-03   7.825e-04    -2.954    -3.106    -0.153     -4.39
   CaCO3           5.466e-06   5.476e-06    -5.262    -5.262     0.001    -14.62
   MgCO3           2.452e-06   2.456e-06    -5.610    -5.610     0.001    -17.09
   CO2             9.832e-07   9.849e-07    -6.007    -6.007     0.001     34.19
   CaHCO3+         1.607e-07   1.473e-07    -6.794    -6.832    -0.038      9.51
   MgHCO3+         1.230e-07   1.123e-07    -6.910    -6.950    -0.040      5.37
   BaCO3           8.188e-09   8.203e-09    -8.087    -8.086     0.001    -10.75
   BaHCO3+         5.544e-10   5.063e-10    -9.256    -9.296    -0.039     (0)  
   (CO2)2          1.500e-14   1.502e-14   -13.824   -13.823     0.001     68.37
   FeCO3           7.744e-28   7.758e-28   -27.111   -27.110     0.001     (0)  
   FeHCO3+         1.247e-29   1.139e-29   -28.904   -28.944    -0.039     (0)  
Ca            1.212e-05
   Ca+2            6.491e-06   4.562e-06    -5.188    -5.341    -0.153    -18.04
   CaCO3           5.466e-06   5.476e-06    -5.262    -5.262     0.001    -14.62
   CaHCO3+         1.607e-07   1.473e-07    -6.794    -6.832    -0.038      9.51
   CaOH+           5.589e-09   5.104e-09    -8.253    -8.292    -0.039     (0)  
   CaSO4           1.521e-23   1.524e-23   -22.818   -22.817     0.001      7.30
   CaHSO4+         1.519e-32   1.387e-32   -31.819   -31.858    -0.039     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.095e-03    -2.921    -2.961    -0.040     17.96
   HCl             5.727e-14   5.770e-14   -13.242   -13.239     0.003     (0)  
   FeCl+           6.839e-32   6.245e-32   -31.165   -31.204    -0.039     (0)  
   FeCl+2          1.988e-32   1.393e-32   -31.702   -31.856    -0.154     (0)  
   FeCl2+          8.750e-35   8.006e-35   -34.058   -34.097    -0.039     (0)  
   FeCl3           8.750e-39   8.765e-39   -38.058   -38.057     0.001     (0)  
Fe(2)         9.141e-28
   FeCO3           7.744e-28   7.758e-28   -27.111   -27.110     0.001     (0)  
   FeOH+           6.585e-29   6.025e-29   -28.181   -28.220    -0.039     (0)  
   Fe+2            5.846e-29   4.133e-29   -28.233   -28.384    -0.151    -22.30
   FeHCO3+         1.247e-29   1.139e-29   -28.904   -28.944    -0.039     (0)  
   Fe(OH)2         2.217e-30   2.221e-30   -29.654   -29.653     0.001     (0)  
   Fe(OH)3-        5.784e-31   5.292e-31   -30.238   -30.276    -0.039     (0)  
   FeCl+           6.839e-32   6.245e-32   -31.165   -31.204    -0.039     (0)  
   FeSO4           0.000e+00   0.000e+00   -45.885   -45.884     0.001     24.60
   FeHSO4+         0.000e+00   0.000e+00   -54.861   -54.901    -0.039     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -346.481  -346.480     0.001     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -507.927  -507.966    -0.039     (0)  
Fe(3)         1.324e-13
   Fe(OH)4-        1.120e-13   1.025e-13   -12.951   -12.989    -0.038     (0)  
   Fe(OH)3         2.042e-14   2.046e-14   -13.690   -13.689     0.001     (0)  
   Fe(OH)2+        3.211e-17   2.941e-17   -16.493   -16.532    -0.038     (0)  
   FeOH+2          2.280e-23   1.598e-23   -22.642   -22.797    -0.154     (0)  
   Fe+3            1.025e-30   4.952e-31   -29.989   -30.305    -0.316     (0)  
   FeCl+2          1.988e-32   1.393e-32   -31.702   -31.856    -0.154     (0)  
   FeCl2+          8.750e-35   8.006e-35   -34.058   -34.097    -0.039     (0)  
   FeCl3           8.750e-39   8.765e-39   -38.058   -38.057     0.001     (0)  
   Fe2(OH)2+4      0.000e+00   0.000e+00   -43.441   -44.072    -0.631     (0)  
   FeSO4+          0.000e+00   0.000e+00   -45.985   -46.024    -0.039     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -55.265   -55.422    -0.158     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -57.094   -58.080    -0.986     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -64.363   -64.402    -0.039     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.225   -45.225     0.001     28.61
K             3.935e-07
   K+              3.935e-07   3.589e-07    -6.405    -6.445    -0.040      8.88
   KSO4-           3.069e-26   2.773e-26   -25.513   -25.557    -0.044     20.61
Mg            7.664e-06
   Mg+2            5.029e-06   3.552e-06    -5.299    -5.450    -0.151    -21.47
   MgCO3           2.452e-06   2.456e-06    -5.610    -5.610     0.001    -17.09
   MgHCO3+         1.230e-07   1.123e-07    -6.910    -6.950    -0.040      5.37
   MgOH+           5.984e-08   5.493e-08    -7.223    -7.260    -0.037     (0)  
   MgSO4           1.590e-23   1.595e-23   -22.799   -22.797     0.002     -1.75
   Mg(SO4)2-2      0.000e+00   0.000e+00   -41.802   -41.948    -0.147     37.22
Na            6.462e-03
   Na+             6.462e-03   5.909e-03    -2.190    -2.229    -0.039     -1.68
   NaOH            2.722e-17   2.727e-17   -16.565   -16.564     0.001     (0)  
   NaSO4-          5.536e-22   5.001e-22   -21.257   -21.301    -0.044     14.47
Ntg           4.104e-04
   Ntg             4.104e-04   4.111e-04    -3.387    -3.386     0.001     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.680e-04    -3.573    -3.572     0.001     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -163.483  -163.523    -0.040     20.40
   H2S             0.000e+00   0.000e+00  -166.343  -166.342     0.001     34.96
   S-2             0.000e+00   0.000e+00  -166.609  -166.764    -0.154     (0)  
   (H2S)2          0.000e+00   0.000e+00  -334.020  -334.019     0.001     30.27
   Fe(HS)2         0.000e+00   0.000e+00  -346.481  -346.480     0.001     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -507.927  -507.966    -0.039     (0)  
S(6)          2.845e-20
   SO4-2           2.786e-20   1.951e-20   -19.555   -19.710    -0.155     14.25
   NaSO4-          5.536e-22   5.001e-22   -21.257   -21.301    -0.044     14.47
   MgSO4           1.590e-23   1.595e-23   -22.799   -22.797     0.002     -1.75
   CaSO4           1.521e-23   1.524e-23   -22.818   -22.817     0.001      7.30
   BaSO4           2.190e-25   2.194e-25   -24.660   -24.659     0.001     (0)  
   KSO4-           3.069e-26   2.773e-26   -25.513   -25.557    -0.044     20.61
   HSO4-           2.769e-28   2.529e-28   -27.558   -27.597    -0.039     39.96
   CaHSO4+         1.519e-32   1.387e-32   -31.819   -31.858    -0.039     (0)  
   AlSO4+          0.000e+00   0.000e+00   -41.131   -41.170    -0.039     (0)  
   Mg(SO4)2-2      0.000e+00   0.000e+00   -41.802   -41.948    -0.147     37.22
   FeSO4           0.000e+00   0.000e+00   -45.885   -45.884     0.001     24.60
   FeSO4+          0.000e+00   0.000e+00   -45.985   -46.024    -0.039     (0)  
   AlHSO4+2        0.000e+00   0.000e+00   -51.911   -52.069    -0.158     (0)  
   FeHSO4+         0.000e+00   0.000e+00   -54.861   -54.901    -0.039     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -55.265   -55.422    -0.158     (0)  
   Al(SO4)2-       0.000e+00   0.000e+00   -59.351   -59.390    -0.039     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -64.363   -64.402    -0.039     (0)  
Si            9.408e-13
   H4SiO4          4.921e-13   4.929e-13   -12.308   -12.307     0.001     52.53
   H3SiO4-         4.485e-13   4.095e-13   -12.348   -12.388    -0.040     27.88
   H2SiO4-2        1.909e-16   1.343e-16   -15.719   -15.872    -0.153     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -6.58      4.55   11.13  Al(OH)3
  Albite          -29.64    -47.96  -18.33  NaAlSi3O8
  Alunite         -60.92    -61.69   -0.77  KAl3(SO4)2(OH)6
  Anhydrite       -20.83    -25.05   -4.22  CaSO4
  Anorthite       -27.72    -47.58  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -30.65    -32.60   -1.95  K2SO4
  Barite          -17.47    -27.36   -9.89  BaSO4
  Ca-Montmorillonite -40.48    -86.24  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -146.56   -149.32   -2.75  CH4
  Chalcedony       -8.70    -12.31   -3.61  SiO2
  Chlorite(14A)   -27.05     43.23   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -14.82     18.01   32.83  Mg3Si2O5(OH)4
  CO2(g)           -4.60     -6.01   -1.41  CO2	 Pressure   0.0 atm, phi 0.998
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite        -23.39    -25.16   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -178.16   -182.08   -3.92  FeS
  Gibbsite         -3.84      4.55    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum          -20.47    -25.05   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.22   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -165.41   -173.35   -7.95  H2S
  Halite           -6.76     -5.19    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite     -23.59    -25.16   -1.57  MgSO4:6H2O
  Illite          -39.41    -80.37  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -68.99    -77.81   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -31.22    -52.18  -20.96  KAlSi3O8
  K-mica          -33.32    -19.87   13.45  KAl3Si3O10(OH)2
  Kaolinite       -23.38    -15.51    7.88  Al2Si2O5(OH)4
  Kieserite       -23.96    -25.16   -1.20  MgSO4:H2O
  Mackinawite    -177.43   -182.08   -4.65  FeS
  Melanterite     -45.82    -48.09   -2.27  FeSO4:7H2O
  Mirabilite      -22.70    -24.17   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.24     -3.39   -3.14  Ntg	 Pressure   0.6 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -294.71   -313.33  -18.62  FeS2
  Quartz           -8.25    -12.31   -4.06  SiO2
  Sepiolite       -24.40     -8.51   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -27.17     -8.51   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -20.63    -31.49  -10.86  FeCO3
  SiO2(a)          -9.55    -12.31   -2.75  SiO2
  Sulfur         -129.25   -124.25    5.00  S
  Sylvite         -10.28     -9.41    0.87  KCl
  Talc            -28.58     -6.60   21.98  Mg3Si4O10(OH)2
  Thenardite      -23.89    -24.17   -0.28  Na2SO4
  Witherite        -2.18    -10.76   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.474 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         1
Grid cell(s) (0-based): 1 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      1
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

WARNING: Numerical method failed, switching to numerical derivatives.
WARNING: Maximum iterations exceeded, 100

WARNING: Numerical method failed with this set of convergence parameters.

WARNING: Trying reduced tolerance 1e-16 ...

Using solution 1.	Solution after simulation 1.
Using exchange 1.	Exchange assemblage after simulation 1.
Using surface 1.	
Using pure phase assemblage 1.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 1.	Solid solution assemblage after simulation 1
Using gas phase 1.	Gas phase after simulation 1.
Using kinetics 1.	

Kinetics 1.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.772e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.6970e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.67      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.58e+01 liters/mole
   P * Vm / RT:  0.99966  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -3.49   3.200e-04  0.997   3.470e-06   2.661e-06  -8.092e-07
Ntg(g)            -0.17   6.708e-01  1.000   5.592e-03   5.579e-03  -1.249e-05

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.282e-01   2.283e-01   3.390e-05
Dolomite          0.00   -17.00    -17.00    1.831e-01   1.828e-01  -2.768e-04
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   1.266e-14

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00     0.00e+00     0.00e+00
                                 Barite     0.00e+00     0.00e+00     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -3.883e-06  Surface charge, eq
	 -6.245e-03  sigma, C/m²
	 -2.419e-02  psi, V
	  9.575e-01  -F*psi/RT
	  2.605e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       7.450e-04       0.745   3.736e-03      -2.428
	Hfo_sOH           1.446e-04       0.145   7.251e-04      -3.140
	Hfo_sO-           9.241e-05       0.092   4.635e-04      -3.334
	Hfo_sOHBa+2       1.281e-05       0.013   6.423e-05      -4.192
	Hfo_sOH2+         5.181e-06       0.005   2.599e-05      -4.585
	Hfo_sOFe+         5.602e-23       0.000   2.809e-22     -21.551

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.536e-03       0.354   1.774e-02      -1.751
	Hfo_wO-           2.260e-03       0.226   1.134e-02      -1.946
	Hfo_wOMg+         2.078e-03       0.208   1.042e-02      -1.982
	Hfo_wCO3-         1.526e-03       0.153   7.655e-03      -2.116
	Hfo_wHCO3         3.221e-04       0.032   1.616e-03      -2.792
	Hfo_wOCa+         1.501e-04       0.015   7.526e-04      -3.123
	Hfo_wOH2+         1.267e-04       0.013   6.356e-04      -3.197
	Hfo_wOBa+         3.729e-08       0.000   1.870e-07      -6.728
	Hfo_wHSiO4-2      5.292e-09       0.000   2.654e-08      -7.576
	Hfo_wH2SiO4-      2.871e-09       0.000   1.440e-08      -7.842
	Hfo_wH3SiO4       1.669e-10       0.000   8.368e-10      -9.077
	Hfo_wOHSO4-2      1.377e-18       0.000   6.905e-18     -17.161
	Hfo_wSO4-         2.474e-20       0.000   1.241e-19     -18.906
	Hfo_wOFeOH        1.872e-23       0.000   9.387e-23     -22.027
	Hfo_wOFe+         1.279e-23       0.000   6.413e-23     -22.193

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.244e-01   1.244e-01   6.219e-01    -0.046
	CaX2              2.528e-02   5.057e-02   2.528e-01    -0.182
	MgX2              1.232e-02   2.463e-02   1.232e-01    -0.179
	BaX2              1.871e-04   3.741e-04   1.871e-03    -0.188
	KX                3.613e-05   3.613e-05   1.806e-04    -0.048
	AlOHX2            2.520e-15   5.040e-15   2.520e-14     0.047
	AlX3              8.361e-18   2.508e-17   1.254e-16    -0.370
	FeX2              1.323e-24   2.645e-24   1.323e-23    -0.178

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                3.005e-09   5.993e-10
	Ba                8.203e-08   1.636e-08
	C                 8.850e-03   1.765e-03
	Ca                1.861e-05   3.711e-06
	Cl                1.200e-03   2.393e-04
	Fe                4.448e-14   8.869e-15
	K                 5.997e-07   1.196e-07
	Mg                1.263e-05   2.519e-06
	Na                1.066e-02   2.125e-03
	Ntg               4.801e-04   9.573e-05
	S                 6.764e-16   1.349e-16
	Si                2.951e-12   5.884e-13

----------------------------Description of solution----------------------------

                                       pH  =   9.151      Charge balance
                                       pe  =  11.897      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 886
                         Density (g/cm³)  =   0.99882
                               Volume (L)  =   0.19980
                        Viscosity (mPa s)  =   1.00602
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   1.139e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   9.523e-03
                       Total CO2 (mol/kg)  =   8.850e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.67
                  Electrical balance (eq)  =   3.574e-08
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =  63 (164 overall)
                                  Total H  = 2.213709e+01
                                  Total O  = 1.107313e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             1.083e-05   9.699e-06    -4.965    -5.013    -0.048     -4.25
   H+              7.755e-10   7.056e-10    -9.110    -9.151    -0.041      0.00
   H2O             5.551e+01   9.996e-01     1.744    -0.000     0.000     18.05
Al            3.005e-09
   Al(OH)4-        3.004e-09   2.698e-09    -8.522    -8.569    -0.047     (0)  
   Al(OH)3         1.071e-12   1.074e-12   -11.970   -11.969     0.001     (0)  
   Al(OH)2+        8.356e-15   7.527e-15   -14.078   -14.123    -0.045     (0)  
   AlOH+2          1.614e-18   1.063e-18   -17.792   -17.974    -0.182    -27.36
   Al+3            2.456e-22   1.049e-22   -21.610   -21.979    -0.370    -41.52
   AlSO4+          1.482e-34   1.331e-34   -33.829   -33.876    -0.047     (0)  
   AlHSO4+2        0.000e+00   0.000e+00   -43.909   -44.097    -0.188     (0)  
   Al(SO4)2-       0.000e+00   0.000e+00   -47.707   -47.754    -0.047     (0)  
Ba            8.203e-08
   Ba+2            6.973e-08   4.526e-08    -7.157    -7.344    -0.188    -12.82
   BaCO3           9.256e-09   9.280e-09    -8.034    -8.032     0.001    -10.75
   BaHCO3+         3.037e-09   2.725e-09    -8.518    -8.565    -0.047     (0)  
   BaOH+           2.415e-12   2.173e-12   -11.617   -11.663    -0.046     (0)  
   BaSO4           9.696e-21   9.721e-21   -20.013   -20.012     0.001     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -148.215  -148.214     0.001     35.01
C(4)          8.850e-03
   HCO3-           8.161e-03   7.351e-03    -2.088    -2.134    -0.045     24.11
   CO3-2           6.666e-04   4.388e-04    -3.176    -3.358    -0.182     -4.31
   CO2             1.247e-05   1.250e-05    -4.904    -4.903     0.001     34.19
   CaCO3           5.461e-06   5.476e-06    -5.263    -5.262     0.001    -14.62
   MgCO3           2.450e-06   2.456e-06    -5.611    -5.610     0.001    -17.09
   CaHCO3+         7.768e-07   7.010e-07    -6.110    -6.154    -0.045      9.52
   MgHCO3+         5.959e-07   5.343e-07    -6.225    -6.272    -0.047      5.38
   BaCO3           9.256e-09   9.280e-09    -8.034    -8.032     0.001    -10.75
   BaHCO3+         3.037e-09   2.725e-09    -8.518    -8.565    -0.047     (0)  
   (CO2)2          2.414e-12   2.420e-12   -11.617   -11.616     0.001     68.37
   FeCO3           9.818e-27   9.844e-27   -26.008   -26.007     0.001     (0)  
   FeHCO3+         7.662e-28   6.875e-28   -27.116   -27.163    -0.047     (0)  
Ca            1.861e-05
   Ca+2            1.237e-05   8.136e-06    -4.908    -5.090    -0.182    -17.98
   CaCO3           5.461e-06   5.476e-06    -5.263    -5.262     0.001    -14.62
   CaHCO3+         7.768e-07   7.010e-07    -6.110    -6.154    -0.045      9.52
   CaOH+           2.132e-09   1.913e-09    -8.671    -8.718    -0.047     (0)  
   CaSO4           5.953e-19   5.968e-19   -18.225   -18.224     0.001      7.30
   CaHSO4+         2.880e-27   2.584e-27   -26.541   -26.588    -0.047     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.075e-03    -2.921    -2.969    -0.048     17.97
   HCl             2.666e-13   2.696e-13   -12.574   -12.569     0.005     (0)  
   FeCl+2          2.250e-30   1.474e-30   -29.648   -29.832    -0.184     (0)  
   FeCl+           1.547e-30   1.388e-30   -29.811   -29.858    -0.047     (0)  
   FeCl2+          9.244e-33   8.316e-33   -32.034   -32.080    -0.046     (0)  
   FeCl3           8.918e-37   8.942e-37   -36.050   -36.049     0.001     (0)  
Fe(2)         1.232e-26
   FeCO3           9.818e-27   9.844e-27   -26.008   -26.007     0.001     (0)  
   Fe+2            1.411e-27   9.353e-28   -26.851   -27.029    -0.178    -22.25
   FeHCO3+         7.662e-28   6.875e-28   -27.116   -27.163    -0.047     (0)  
   FeOH+           3.185e-28   2.866e-28   -27.497   -27.543    -0.046     (0)  
   Fe(OH)2         2.215e-30   2.220e-30   -29.655   -29.654     0.001     (0)  
   FeCl+           1.547e-30   1.388e-30   -29.811   -29.858    -0.047     (0)  
   Fe(OH)3-        1.236e-31   1.112e-31   -30.908   -30.954    -0.046     (0)  
   FeSO4           0.000e+00   0.000e+00   -40.189   -40.187     0.001     24.60
   FeHSO4+         0.000e+00   0.000e+00   -48.480   -48.527    -0.047     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -335.090  -335.089     0.001     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -491.510  -491.557    -0.047     (0)  
Fe(3)         4.448e-14
   Fe(OH)4-        2.392e-14   2.155e-14   -13.621   -13.667    -0.045     (0)  
   Fe(OH)3         2.040e-14   2.046e-14   -13.690   -13.689     0.001     (0)  
   Fe(OH)2+        1.553e-16   1.399e-16   -15.809   -15.854    -0.045     (0)  
   FeOH+2          5.521e-22   3.616e-22   -21.258   -21.442    -0.184     (0)  
   Fe+3            1.249e-28   5.333e-29   -27.904   -28.273    -0.370     (0)  
   FeCl+2          2.250e-30   1.474e-30   -29.648   -29.832    -0.184     (0)  
   FeCl2+          9.244e-33   8.316e-33   -32.034   -32.080    -0.046     (0)  
   FeCl3           8.918e-37   8.942e-37   -36.050   -36.049     0.001     (0)  
   FeSO4+          2.489e-40   2.239e-40   -39.604   -39.650    -0.046     (0)  
   Fe2(OH)2+4      0.000e+00   0.000e+00   -40.609   -41.362    -0.753     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -48.183   -48.371    -0.188     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -53.516   -54.693    -1.176     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -53.640   -53.687    -0.047     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.226   -45.225     0.001     28.61
K             5.997e-07
   K+              5.997e-07   5.371e-07    -6.222    -6.270    -0.048      8.90
   KSO4-           1.032e-21   9.115e-22   -20.986   -21.040    -0.054     21.30
Mg            1.263e-05
   Mg+2            9.563e-06   6.335e-06    -5.019    -5.198    -0.179    -21.42
   MgCO3           2.450e-06   2.456e-06    -5.611    -5.610     0.001    -17.09
   MgHCO3+         5.959e-07   5.343e-07    -6.225    -6.272    -0.047      5.38
   MgOH+           2.278e-08   2.059e-08    -7.642    -7.686    -0.044     (0)  
   MgSO4           6.216e-19   6.249e-19   -18.207   -18.204     0.002     -1.74
   Mg(SO4)2-2      1.443e-33   9.690e-34   -32.841   -33.014    -0.173     37.89
Na            1.066e-02
   Na+             1.066e-02   9.581e-03    -1.972    -2.019    -0.046     -1.65
   NaSO4-          2.017e-17   1.781e-17   -16.695   -16.749    -0.054     14.57
   NaOH            9.268e-18   9.293e-18   -17.033   -17.032     0.001     (0)  
Ntg           4.801e-04
   Ntg             4.801e-04   4.814e-04    -3.319    -3.318     0.001     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.682e-04    -3.573    -3.571     0.001     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -158.457  -158.505    -0.048     20.42
   H2S             0.000e+00   0.000e+00  -160.648  -160.646     0.001     34.96
   S-2             0.000e+00   0.000e+00  -162.239  -162.423    -0.184     (0)  
   (H2S)2          0.000e+00   0.000e+00  -322.629  -322.628     0.001     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -335.090  -335.089     0.001     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -491.510  -491.557    -0.047     (0)  
S(6)          6.764e-16
   SO4-2           6.550e-16   4.285e-16   -15.184   -15.368    -0.184     14.32
   NaSO4-          2.017e-17   1.781e-17   -16.695   -16.749    -0.054     14.57
   MgSO4           6.216e-19   6.249e-19   -18.207   -18.204     0.002     -1.74
   CaSO4           5.953e-19   5.968e-19   -18.225   -18.224     0.001      7.30
   BaSO4           9.696e-21   9.721e-21   -20.013   -20.012     0.001     (0)  
   KSO4-           1.032e-21   9.115e-22   -20.986   -21.040    -0.054     21.30
   HSO4-           2.944e-23   2.642e-23   -22.531   -22.578    -0.047     39.98
   CaHSO4+         2.880e-27   2.584e-27   -26.541   -26.588    -0.047     (0)  
   Mg(SO4)2-2      1.443e-33   9.690e-34   -32.841   -33.014    -0.173     37.89
   AlSO4+          1.482e-34   1.331e-34   -33.829   -33.876    -0.047     (0)  
   FeSO4+          2.489e-40   2.239e-40   -39.604   -39.650    -0.046     (0)  
   FeSO4           0.000e+00   0.000e+00   -40.189   -40.187     0.001     24.60
   AlHSO4+2        0.000e+00   0.000e+00   -43.909   -44.097    -0.188     (0)  
   Al(SO4)2-       0.000e+00   0.000e+00   -47.707   -47.754    -0.047     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -48.183   -48.371    -0.188     (0)  
   FeHSO4+         0.000e+00   0.000e+00   -48.480   -48.527    -0.047     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -53.640   -53.687    -0.047     (0)  
Si            2.951e-12
   H4SiO4          2.469e-12   2.475e-12   -11.608   -11.606     0.001     52.53
   H3SiO4-         4.820e-13   4.322e-13   -12.317   -12.364    -0.047     27.90
   H2SiO4-2        4.527e-17   2.979e-17   -16.344   -16.526    -0.182     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -5.66      5.47   11.13  Al(OH)3
  Albite          -27.08    -45.41  -18.33  NaAlSi3O8
  Alunite         -47.26    -48.04   -0.77  KAl3(SO4)2(OH)6
  Anhydrite       -16.23    -20.46   -4.22  CaSO4
  Anorthite       -25.58    -45.44  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -25.96    -27.91   -1.95  K2SO4
  Barite          -12.82    -22.71   -9.89  BaSO4
  Ca-Montmorillonite -35.94    -81.70  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -145.46   -148.21   -2.75  CH4
  Chalcedony       -8.00    -11.61   -3.61  SiO2
  Chlorite(14A)   -28.62     41.65   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.73     16.10   32.83  Mg3Si2O5(OH)4
  CO2(g)           -3.50     -4.90   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite        -18.80    -20.57   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -172.47   -176.38   -3.92  FeS
  Gibbsite         -2.92      5.47    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum          -15.87    -20.46   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.22   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -159.71   -167.66   -7.95  H2S
  Halite           -6.55     -4.99    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite     -18.99    -20.57   -1.57  MgSO4:6H2O
  Illite          -35.42    -76.37  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -58.10    -66.92   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -28.70    -49.66  -20.96  KAlSi3O8
  K-mica          -28.96    -15.51   13.45  KAl3Si3O10(OH)2
  Kaolinite       -20.14    -12.26    7.88  Al2Si2O5(OH)4
  Kieserite       -19.37    -20.57   -1.20  MgSO4:H2O
  Mackinawite    -171.73   -176.38   -4.65  FeS
  Melanterite     -40.13    -42.40   -2.27  FeSO4:7H2O
  Mirabilite      -17.94    -19.41   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.32   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -283.32   -301.94  -18.62  FeS2
  Quartz           -7.55    -11.61   -4.06  SiO2
  Sepiolite       -24.50     -8.61   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -27.27     -8.61   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -19.53    -30.39  -10.86  FeCO3
  SiO2(a)          -8.85    -11.61   -2.75  SiO2
  Sulfur         -123.55   -118.55    5.00  S
  Sylvite         -10.11     -9.24    0.87  KCl
  Talc            -29.09     -7.11   21.98  Mg3Si4O10(OH)2
  Thenardite      -19.13    -19.41   -0.28  Na2SO4
  Witherite        -2.13    -10.70   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.674 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         2
Grid cell(s) (0-based): 2 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      2
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 2.	Solution after simulation 1.
Using exchange 2.	Exchange assemblage after simulation 1.
Using surface 2.	
Using pure phase assemblage 2.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 2.	Solid solution assemblage after simulation 1
Using gas phase 2.	Gas phase after simulation 1.
Using kinetics 2.	

Kinetics 2.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.832e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.9616e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.54e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -3.00   1.004e-03  0.997   9.665e-06   8.349e-06  -1.316e-06
Ntg(g)            -0.17   6.783e-01  1.000   5.642e-03   5.641e-03  -7.906e-07

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.282e-01   2.282e-01  -5.112e-06
Dolomite          0.00   -17.00    -17.00    1.843e-01   1.841e-01  -1.744e-04
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   1.749e-15

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00     0.00e+00     0.00e+00
                                 Barite     0.00e+00     0.00e+00     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -4.255e-06  Surface charge, eq
	 -6.843e-03  sigma, C/m²
	 -2.344e-02  psi, V
	  9.278e-01  -F*psi/RT
	  2.529e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.272e-04       0.827   4.149e-03      -2.382
	Hfo_sOH           1.145e-04       0.114   5.742e-04      -3.241
	Hfo_sO-           3.490e-05       0.035   1.750e-04      -3.757
	Hfo_sOHBa+2       1.476e-05       0.015   7.403e-05      -4.131
	Hfo_sOH2+         8.605e-06       0.009   4.316e-05      -4.365
	Hfo_sOFe+         9.303e-23       0.000   4.666e-22     -21.331

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.660e-03       0.366   1.835e-02      -1.736
	Hfo_wCO3-         2.363e-03       0.236   1.185e-02      -1.926
	Hfo_wOMg+         1.437e-03       0.144   7.209e-03      -2.142
	Hfo_wO-           1.115e-03       0.112   5.594e-03      -2.252
	Hfo_wHCO3         1.046e-03       0.105   5.245e-03      -2.280
	Hfo_wOH2+         2.750e-04       0.028   1.379e-03      -2.860
	Hfo_wOCa+         1.038e-04       0.010   5.207e-04      -3.283
	Hfo_wOBa+         2.678e-08       0.000   1.343e-07      -6.872
	Hfo_wH2SiO4-      4.224e-09       0.000   2.118e-08      -7.674
	Hfo_wHSiO4-2      3.713e-09       0.000   1.862e-08      -7.730
	Hfo_wH3SiO4       5.148e-10       0.000   2.582e-09      -8.588
	Hfo_wOHSO4-2      8.206e-16       0.000   4.116e-15     -14.386
	Hfo_wSO4-         3.093e-17       0.000   1.551e-16     -15.809
	Hfo_wOFe+         2.775e-23       0.000   1.392e-22     -21.856
	Hfo_wOFeOH        1.937e-23       0.000   9.713e-23     -22.013

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.281e-01   1.281e-01   6.407e-01    -0.051
	CaX2              2.404e-02   4.807e-02   2.404e-01    -0.202
	MgX2              1.169e-02   2.338e-02   1.169e-01    -0.198
	BaX2              1.852e-04   3.704e-04   1.852e-03    -0.209
	KX                3.631e-05   3.631e-05   1.815e-04    -0.054
	AlOHX2            2.192e-14   4.385e-14   2.192e-13     0.052
	AlX3              1.351e-16   4.054e-16   2.027e-15    -0.406
	FeX2              3.937e-24   7.875e-24   3.937e-23    -0.198

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                4.355e-09   8.683e-10
	Ba                1.296e-07   2.584e-08
	C                 1.251e-02   2.494e-03
	Ca                2.642e-05   5.269e-06
	Cl                1.200e-03   2.393e-04
	Fe                3.192e-14   6.365e-15
	K                 7.715e-07   1.538e-07
	Mg                1.864e-05   3.716e-06
	Na                1.406e-02   2.803e-03
	Ntg               4.851e-04   9.672e-05
	S                 3.882e-13   7.741e-14
	Si                8.028e-12   1.601e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.817      Charge balance
                                       pe  =  12.232      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 1142
                         Density (g/cm³)  =   0.99903
                               Volume (L)  =   0.19981
                        Viscosity (mPa s)  =   1.00731
                        Activity of water  =   1.000
                 Ionic strength (mol/kgw)  =   1.463e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   1.295e-02
                       Total CO2 (mol/kg)  =   1.251e-02
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -8.175e-08
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =  20
                                  Total H  = 2.213726e+01
                                  Total O  = 1.107501e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             5.080e-06   4.489e-06    -5.294    -5.348    -0.054     -4.24
   H+              1.691e-09   1.524e-09    -8.772    -8.817    -0.045      0.00
   H2O             5.551e+01   9.995e-01     1.744    -0.000     0.000     18.05
Al            4.355e-09
   Al(OH)4-        4.351e-09   3.861e-09    -8.361    -8.413    -0.052     (0)  
   Al(OH)3         3.309e-12   3.320e-12   -11.480   -11.479     0.001     (0)  
   Al(OH)2+        5.646e-14   5.027e-14   -13.248   -13.299    -0.050     (0)  
   AlOH+2          2.439e-17   1.534e-17   -16.613   -16.814    -0.202    -27.33
   Al+3            8.327e-21   3.271e-21   -20.079   -20.485    -0.406    -41.45
   AlSO4+          2.538e-30   2.252e-30   -29.595   -29.647    -0.052     (0)  
   AlHSO4+2        4.733e-40   2.922e-40   -39.325   -39.534    -0.209     (0)  
   Al(SO4)2-       0.000e+00   0.000e+00   -40.739   -40.791    -0.052     (0)  
Ba            1.296e-07
   Ba+2            1.131e-07   6.990e-08    -6.947    -7.156    -0.209    -12.78
   BaCO3           9.600e-09   9.633e-09    -8.018    -8.016     0.001    -10.75
   BaHCO3+         6.893e-09   6.110e-09    -8.162    -8.214    -0.052     (0)  
   BaOH+           1.747e-12   1.553e-12   -11.758   -11.809    -0.051     (0)  
   BaSO4           8.121e-18   8.148e-18   -17.090   -17.089     0.001     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.720  -147.718     0.001     35.01
C(4)          1.251e-02
   HCO3-           1.199e-02   1.067e-02    -1.921    -1.972    -0.050     24.14
   CO3-2           4.691e-04   2.949e-04    -3.329    -3.530    -0.202     -4.25
   CO2             3.908e-05   3.921e-05    -4.408    -4.407     0.001     34.19
   CaCO3           5.457e-06   5.476e-06    -5.263    -5.262     0.001    -14.62
   MgCO3           2.448e-06   2.456e-06    -5.611    -5.610     0.001    -17.09
   CaHCO3+         1.697e-06   1.514e-06    -5.770    -5.820    -0.049      9.53
   MgHCO3+         1.304e-06   1.154e-06    -5.885    -5.938    -0.053      5.39
   BaCO3           9.600e-09   9.633e-09    -8.018    -8.016     0.001    -10.75
   BaHCO3+         6.893e-09   6.110e-09    -8.162    -8.214    -0.052     (0)  
   (CO2)2          2.374e-11   2.382e-11   -10.625   -10.623     0.001     68.37
   FeCO3           3.077e-26   3.088e-26   -25.512   -25.510     0.001     (0)  
   FeHCO3+         5.256e-27   4.659e-27   -26.279   -26.332    -0.052     (0)  
Ca            2.642e-05
   Ca+2            1.927e-05   1.211e-05    -4.715    -4.917    -0.202    -17.95
   CaCO3           5.457e-06   5.476e-06    -5.263    -5.262     0.001    -14.62
   CaHCO3+         1.697e-06   1.514e-06    -5.770    -5.820    -0.049      9.53
   CaOH+           1.486e-09   1.317e-09    -8.828    -8.880    -0.052     (0)  
   CaSO4           4.803e-16   4.819e-16   -15.318   -15.317     0.001      7.30
   CaHSO4+         5.086e-24   4.508e-24   -23.294   -23.346    -0.052     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.062e-03    -2.921    -2.974    -0.053     17.99
   HCl             5.668e-13   5.750e-13   -12.247   -12.240     0.006     (0)  
   FeCl+2          2.349e-29   1.467e-29   -28.629   -28.833    -0.204     (0)  
   FeCl+           7.216e-30   6.397e-30   -29.142   -29.194    -0.052     (0)  
   FeCl2+          9.196e-32   8.176e-32   -31.036   -31.087    -0.051     (0)  
   FeCl3           8.651e-36   8.680e-36   -35.063   -35.061     0.001     (0)  
Fe(2)         4.362e-26
   FeCO3           3.077e-26   3.088e-26   -25.512   -25.510     0.001     (0)  
   Fe+2            6.881e-27   4.365e-27   -26.162   -26.360    -0.198    -22.22
   FeHCO3+         5.256e-27   4.659e-27   -26.279   -26.332    -0.052     (0)  
   FeOH+           6.962e-28   6.190e-28   -27.157   -27.208    -0.051     (0)  
   FeCl+           7.216e-30   6.397e-30   -29.142   -29.194    -0.052     (0)  
   Fe(OH)2         2.212e-30   2.220e-30   -29.655   -29.654     0.001     (0)  
   Fe(OH)3-        5.787e-32   5.145e-32   -31.238   -31.289    -0.051     (0)  
   FeSO4           1.639e-37   1.645e-37   -36.785   -36.784     0.001     24.60
   FeHSO4+         0.000e+00   0.000e+00   -44.737   -44.789    -0.052     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -328.285  -328.283     0.001     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -481.630  -481.683    -0.052     (0)  
Fe(3)         3.192e-14
   Fe(OH)3         2.038e-14   2.045e-14   -13.691   -13.689     0.001     (0)  
   Fe(OH)4-        1.120e-14   9.971e-15   -13.951   -14.001    -0.050     (0)  
   Fe(OH)2+        3.394e-16   3.022e-16   -15.469   -15.520    -0.050     (0)  
   FeOH+2          2.701e-21   1.688e-21   -20.568   -20.773    -0.204     (0)  
   Fe+3            1.369e-27   5.378e-28   -26.864   -27.269    -0.406     (0)  
   FeCl+2          2.349e-29   1.467e-29   -28.629   -28.833    -0.204     (0)  
   FeCl2+          9.196e-32   8.176e-32   -31.036   -31.087    -0.051     (0)  
   FeCl3           8.651e-36   8.680e-36   -35.063   -35.061     0.001     (0)  
   FeSO4+          1.378e-36   1.225e-36   -35.861   -35.912    -0.051     (0)  
   Fe2(OH)2+4      6.511e-40   0.000e+00   -39.186   -40.024    -0.838     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -44.089   -44.298    -0.209     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -47.161   -47.214    -0.052     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -51.711   -53.020    -1.309     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.227   -45.225     0.001     28.61
K             7.715e-07
   K+              7.715e-07   6.821e-07    -6.113    -6.166    -0.054      8.91
   KSO4-           7.231e-19   6.283e-19   -18.141   -18.202    -0.061     21.75
Mg            1.864e-05
   Mg+2            1.487e-05   9.426e-06    -4.828    -5.026    -0.198    -21.38
   MgCO3           2.448e-06   2.456e-06    -5.611    -5.610     0.001    -17.09
   MgHCO3+         1.304e-06   1.154e-06    -5.885    -5.938    -0.053      5.39
   MgOH+           1.586e-08   1.418e-08    -7.800    -7.848    -0.049     (0)  
   MgSO4           5.012e-16   5.046e-16   -15.300   -15.297     0.003     -1.74
   Mg(SO4)2-2      6.590e-28   4.246e-28   -27.181   -27.372    -0.191     38.33
Na            1.406e-02
   Na+             1.406e-02   1.249e-02    -1.852    -1.904    -0.051     -1.63
   NaSO4-          1.450e-14   1.260e-14   -13.839   -13.900    -0.061     14.65
   NaOH            5.586e-18   5.605e-18   -17.253   -17.251     0.001     (0)  
Ntg           4.851e-04
   Ntg             4.851e-04   4.867e-04    -3.314    -3.313     0.001     29.29
O(0)          5.351e-04
   O2              2.676e-04   2.685e-04    -3.573    -3.571     0.001     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -155.383  -155.437    -0.054     20.43
   H2S             0.000e+00   0.000e+00  -157.245  -157.243     0.001     34.96
   S-2             0.000e+00   0.000e+00  -159.485  -159.689    -0.204     (0)  
   (H2S)2          0.000e+00   0.000e+00  -315.823  -315.822     0.001     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -328.285  -328.283     0.001     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -481.630  -481.683    -0.052     (0)  
S(6)          3.882e-13
   SO4-2           3.727e-13   2.326e-13   -12.429   -12.633    -0.205     14.37
   NaSO4-          1.450e-14   1.260e-14   -13.839   -13.900    -0.061     14.65
   MgSO4           5.012e-16   5.046e-16   -15.300   -15.297     0.003     -1.74
   CaSO4           4.803e-16   4.819e-16   -15.318   -15.317     0.001      7.30
   BaSO4           8.121e-18   8.148e-18   -17.090   -17.089     0.001     (0)  
   KSO4-           7.231e-19   6.283e-19   -18.141   -18.202    -0.061     21.75
   HSO4-           3.494e-20   3.097e-20   -19.457   -19.509    -0.052     39.99
   CaHSO4+         5.086e-24   4.508e-24   -23.294   -23.346    -0.052     (0)  
   Mg(SO4)2-2      6.590e-28   4.246e-28   -27.181   -27.372    -0.191     38.33
   AlSO4+          2.538e-30   2.252e-30   -29.595   -29.647    -0.052     (0)  
   FeSO4+          1.378e-36   1.225e-36   -35.861   -35.912    -0.051     (0)  
   FeSO4           1.639e-37   1.645e-37   -36.785   -36.784     0.001     24.60
   AlHSO4+2        4.733e-40   2.922e-40   -39.325   -39.534    -0.209     (0)  
   Al(SO4)2-       0.000e+00   0.000e+00   -40.739   -40.791    -0.052     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -44.089   -44.298    -0.209     (0)  
   FeHSO4+         0.000e+00   0.000e+00   -44.737   -44.789    -0.052     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -47.161   -47.214    -0.052     (0)  
Si            8.028e-12
   H4SiO4          7.355e-12   7.380e-12   -11.133   -11.132     0.001     52.53
   H3SiO4-         6.736e-13   5.965e-13   -12.172   -12.224    -0.053     27.91
   H2SiO4-2        3.028e-17   1.903e-17   -16.519   -16.720    -0.202     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -5.17      5.96   11.13  Al(OH)3
  Albite          -25.39    -43.71  -18.33  NaAlSi3O8
  Alunite         -39.22    -39.99   -0.77  KAl3(SO4)2(OH)6
  Anhydrite       -13.33    -17.55   -4.22  CaSO4
  Anorthite       -24.15    -44.01  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -23.02    -24.97   -1.95  K2SO4
  Barite           -9.90    -19.79   -9.89  BaSO4
  Ca-Montmorillonite -33.14    -78.90  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.97   -147.72   -2.75  CH4
  Chalcedony       -7.52    -11.13   -3.61  SiO2
  Chlorite(14A)   -28.70     41.57   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.27     15.56   32.83  Mg3Si2O5(OH)4
  CO2(g)           -3.00     -4.41   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite        -15.89    -17.66   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -169.06   -172.98   -3.92  FeS
  Gibbsite         -2.43      5.96    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum          -12.97    -17.55   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -156.31   -164.25   -7.95  H2S
  Halite           -6.44     -4.88    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite     -16.09    -17.66   -1.57  MgSO4:6H2O
  Illite          -32.90    -73.85  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -51.52    -60.34   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -27.02    -47.97  -20.96  KAlSi3O8
  K-mica          -26.29    -12.85   13.45  KAl3Si3O10(OH)2
  Kaolinite       -18.21    -10.33    7.88  Al2Si2O5(OH)4
  Kieserite       -16.46    -17.66   -1.20  MgSO4:H2O
  Mackinawite    -168.33   -172.98   -4.65  FeS
  Melanterite     -36.72    -38.99   -2.27  FeSO4:7H2O
  Mirabilite      -14.98    -16.44   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -276.52   -295.14  -18.62  FeS2
  Quartz           -7.08    -11.13   -4.06  SiO2
  Sepiolite       -24.07     -8.18   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.84     -8.18   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -19.03    -29.89  -10.86  FeCO3
  SiO2(a)          -8.38    -11.13   -2.75  SiO2
  Sulfur         -120.15   -115.15    5.00  S
  Sylvite         -10.01     -9.14    0.87  KCl
  Talc            -28.68     -6.70   21.98  Mg3Si4O10(OH)2
  Thenardite      -16.16    -16.44   -0.28  Na2SO4
  Witherite        -2.11    -10.69   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.151 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         3
Grid cell(s) (0-based): 3 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      3
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 3.	Solution after simulation 1.
Using exchange 3.	Exchange assemblage after simulation 1.
Using surface 3.	
Using pure phase assemblage 3.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 3.	Solid solution assemblage after simulation 1
Using gas phase 3.	Gas phase after simulation 1.
Using kinetics 3.	

Kinetics 3.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.963e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    3.0759e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.54e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.80   1.592e-03  0.997   1.410e-05   1.324e-05  -8.560e-07
Ntg(g)            -0.17   6.786e-01  1.000   5.644e-03   5.644e-03  -2.163e-09

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.282e-01   2.282e-01  -6.364e-06
Dolomite          0.00   -17.00    -17.00    1.847e-01   1.846e-01  -7.869e-05
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   3.608e-16

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00     0.00e+00     0.00e+00
                                 Barite     0.00e+00     0.00e+00     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -4.521e-06  Surface charge, eq
	 -7.270e-03  sigma, C/m²
	 -2.350e-02  psi, V
	  9.304e-01  -F*psi/RT
	  2.536e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.529e-04       0.853   4.278e-03      -2.369
	Hfo_sOH           9.927e-05       0.099   4.979e-04      -3.303
	Hfo_sO-           2.203e-05       0.022   1.105e-04      -3.957
	Hfo_sOHBa+2       1.553e-05       0.016   7.786e-05      -4.109
	Hfo_sOH2+         1.025e-05       0.010   5.138e-05      -4.289
	Hfo_sOFe+         1.108e-22       0.000   5.555e-22     -21.255

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.462e-03       0.346   1.736e-02      -1.760
	Hfo_wCO3-         2.581e-03       0.258   1.295e-02      -1.888
	Hfo_wHCO3         1.569e-03       0.157   7.868e-03      -2.104
	Hfo_wOMg+         1.178e-03       0.118   5.906e-03      -2.229
	Hfo_wO-           7.684e-04       0.077   3.854e-03      -2.414
	Hfo_wOH2+         3.573e-04       0.036   1.792e-03      -2.747
	Hfo_wOCa+         8.505e-05       0.009   4.266e-04      -3.370
	Hfo_wOBa+         2.238e-08       0.000   1.122e-07      -6.950
	Hfo_wH2SiO4-      4.671e-09       0.000   2.342e-08      -7.630
	Hfo_wHSiO4-2      2.990e-09       0.000   1.500e-08      -7.824
	Hfo_wH3SiO4       7.818e-10       0.000   3.921e-09      -8.407
	Hfo_wOHSO4-2      2.076e-13       0.000   1.041e-12     -11.983
	Hfo_wSO4-         1.074e-14       0.000   5.388e-14     -13.269
	Hfo_wOFe+         3.605e-23       0.000   1.808e-22     -21.743
	Hfo_wOFeOH        1.832e-23       0.000   9.188e-23     -22.037

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.300e-01   1.300e-01   6.499e-01    -0.054
	CaX2              2.343e-02   4.686e-02   2.343e-01    -0.212
	MgX2              1.138e-02   2.276e-02   1.138e-01    -0.207
	BaX2              1.844e-04   3.689e-04   1.844e-03    -0.219
	KX                3.640e-05   3.640e-05   1.820e-04    -0.056
	AlOHX2            5.975e-14   1.195e-13   5.975e-13     0.055
	AlX3              4.742e-16   1.422e-15   7.112e-15    -0.423
	FeX2              6.081e-24   1.216e-23   6.081e-23    -0.207

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                5.802e-09   1.157e-09
	Ba                1.593e-07   3.176e-08
	C                 1.444e-02   2.878e-03
	Ca                3.110e-05   6.201e-06
	Cl                1.200e-03   2.393e-04
	Fe                2.906e-14   5.795e-15
	K                 8.617e-07   1.718e-07
	Mg                2.223e-05   4.432e-06
	Na                1.588e-02   3.167e-03
	Ntg               4.851e-04   9.673e-05
	S                 1.073e-10   2.139e-11
	Si                1.260e-11   2.511e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.680      Charge balance
                                       pe  =  12.368      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 1280
                         Density (g/cm³)  =   0.99914
                               Volume (L)  =   0.19982
                        Viscosity (mPa s)  =   1.00799
                        Activity of water  =   0.999
                 Ionic strength (mol/kgw)  =   1.642e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   1.479e-02
                       Total CO2 (mol/kg)  =   1.444e-02
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.618e-07
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =  14
                                  Total H  = 2.213732e+01
                                  Total O  = 1.107600e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.733e-06   3.277e-06    -5.428    -5.484    -0.057     -4.23
   H+              2.326e-09   2.088e-09    -8.633    -8.680    -0.047      0.00
   H2O             5.551e+01   9.995e-01     1.744    -0.000     0.000     18.05
Al            5.802e-09
   Al(OH)4-        5.796e-09   5.112e-09    -8.237    -8.291    -0.055     (0)  
   Al(OH)3         5.998e-12   6.021e-12   -11.222   -11.220     0.002     (0)  
   Al(OH)2+        1.410e-13   1.249e-13   -12.851   -12.903    -0.053     (0)  
   AlOH+2          8.488e-17   5.218e-17   -16.071   -16.283    -0.211    -27.31
   Al+3            4.040e-20   1.524e-20   -19.394   -19.817    -0.423    -41.42
   AlSO4+          3.199e-27   2.821e-27   -26.495   -26.550    -0.055     (0)  
   Al(SO4)2-       6.176e-36   5.448e-36   -35.209   -35.264    -0.055     (0)  
   AlHSO4+2        8.316e-37   5.013e-37   -36.080   -36.300    -0.220     (0)  
Ba            1.593e-07
   Ba+2            1.398e-07   8.435e-08    -6.855    -7.074    -0.219    -12.76
   BaCO3           9.789e-09   9.826e-09    -8.009    -8.008     0.002    -10.75
   BaHCO3+         9.688e-09   8.537e-09    -8.014    -8.069    -0.055     (0)  
   BaOH+           1.548e-12   1.368e-12   -11.810   -11.864    -0.054     (0)  
   BaSO4           2.633e-15   2.643e-15   -14.580   -14.578     0.002     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.520  -147.518     0.002     35.01
C(4)          1.444e-02
   HCO3-           1.396e-02   1.236e-02    -1.855    -1.908    -0.053     24.16
   CO3-2           4.056e-04   2.493e-04    -3.392    -3.603    -0.211     -4.22
   CO2             6.195e-05   6.219e-05    -4.208    -4.206     0.002     34.19
   CaCO3           5.455e-06   5.476e-06    -5.263    -5.262     0.002    -14.62
   MgCO3           2.447e-06   2.456e-06    -5.611    -5.610     0.002    -17.09
   CaHCO3+         2.337e-06   2.074e-06    -5.631    -5.683    -0.052      9.53
   MgHCO3+         1.796e-06   1.581e-06    -5.746    -5.801    -0.055      5.40
   BaCO3           9.789e-09   9.826e-09    -8.009    -8.008     0.002    -10.75
   BaHCO3+         9.688e-09   8.537e-09    -8.014    -8.069    -0.055     (0)  
   (CO2)2          5.967e-11   5.989e-11   -10.224   -10.223     0.002     68.37
   FeCO3           4.878e-26   4.896e-26   -25.312   -25.310     0.002     (0)  
   FeHCO3+         1.148e-26   1.012e-26   -25.940   -25.995    -0.055     (0)  
Ca            3.110e-05
   Ca+2            2.331e-05   1.432e-05    -4.633    -4.844    -0.212    -17.93
   CaCO3           5.455e-06   5.476e-06    -5.263    -5.262     0.002    -14.62
   CaHCO3+         2.337e-06   2.074e-06    -5.631    -5.683    -0.052      9.53
   CaOH+           1.291e-09   1.138e-09    -8.889    -8.944    -0.055     (0)  
   CaSO4           1.527e-13   1.533e-13   -12.816   -12.815     0.002      7.30
   CaHSO4+         2.228e-21   1.963e-21   -20.652   -20.707    -0.055     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.055e-03    -2.921    -2.977    -0.056     17.99
   HCl             7.701e-13   7.826e-13   -12.113   -12.106     0.007     (0)  
   FeCl+2          6.136e-29   3.747e-29   -28.212   -28.426    -0.214     (0)  
   FeCl+           1.353e-29   1.192e-29   -28.869   -28.924    -0.055     (0)  
   FeCl2+          2.347e-31   2.075e-31   -30.629   -30.683    -0.054     (0)  
   FeCl3           2.181e-35   2.189e-35   -34.661   -34.660     0.002     (0)  
Fe(2)         7.443e-26
   FeCO3           4.878e-26   4.896e-26   -25.312   -25.310     0.002     (0)  
   Fe+2            1.319e-26   8.187e-27   -25.880   -26.087    -0.207    -22.20
   FeHCO3+         1.148e-26   1.012e-26   -25.940   -25.995    -0.055     (0)  
   FeOH+           9.589e-28   8.477e-28   -27.018   -27.072    -0.054     (0)  
   FeCl+           1.353e-29   1.192e-29   -28.869   -28.924    -0.055     (0)  
   Fe(OH)2         2.211e-30   2.220e-30   -29.655   -29.654     0.002     (0)  
   Fe(OH)3-        4.249e-32   3.756e-32   -31.372   -31.425    -0.054     (0)  
   FeSO4           8.263e-35   8.295e-35   -34.083   -34.081     0.002     24.60
   FeHSO4+         0.000e+00   0.000e+00   -41.895   -41.950    -0.055     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -322.880  -322.879     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -473.657  -473.712    -0.055     (0)  
Fe(3)         2.906e-14
   Fe(OH)3         2.038e-14   2.045e-14   -13.691   -13.689     0.002     (0)  
   Fe(OH)4-        8.221e-15   7.279e-15   -14.085   -14.138    -0.053     (0)  
   Fe(OH)2+        4.674e-16   4.139e-16   -15.330   -15.383    -0.053     (0)  
   FeOH+2          5.185e-21   3.166e-21   -20.285   -20.499    -0.214     (0)  
   Fe+3            3.662e-27   1.382e-27   -26.436   -26.860    -0.423     (0)  
   FeCl+2          6.136e-29   3.747e-29   -28.212   -28.426    -0.214     (0)  
   FeCl2+          2.347e-31   2.075e-31   -30.629   -30.683    -0.054     (0)  
   FeSO4+          9.575e-34   8.464e-34   -33.019   -33.072    -0.054     (0)  
   FeCl3           2.181e-35   2.189e-35   -34.661   -34.660     0.002     (0)  
   Fe2(OH)2+4      2.521e-39   3.329e-40   -38.598   -39.478    -0.879     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -41.103   -41.323    -0.220     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -41.890   -41.945    -0.055     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -50.963   -52.337    -1.374     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.227   -45.225     0.002     28.61
K             8.617e-07
   K+              8.617e-07   7.570e-07    -6.065    -6.121    -0.056      8.92
   KSO4-           2.175e-16   1.874e-16   -15.662   -15.727    -0.065     21.97
Mg            2.223e-05
   Mg+2            1.797e-05   1.115e-05    -4.745    -4.953    -0.207    -21.36
   MgCO3           2.447e-06   2.456e-06    -5.611    -5.610     0.002    -17.09
   MgHCO3+         1.796e-06   1.581e-06    -5.746    -5.801    -0.055      5.40
   MgOH+           1.377e-08   1.224e-08    -7.861    -7.912    -0.051     (0)  
   MgSO4           1.592e-13   1.604e-13   -12.798   -12.795     0.003     -1.74
   Mg(SO4)2-2      5.747e-23   3.630e-23   -22.241   -22.440    -0.200     38.53
Na            1.588e-02
   Na+             1.588e-02   1.403e-02    -1.799    -1.853    -0.054     -1.62
   NaSO4-          4.416e-12   3.804e-12   -11.355   -11.420    -0.065     14.69
   NaOH            4.580e-18   4.597e-18   -17.339   -17.338     0.002     (0)  
Ntg           4.851e-04
   Ntg             4.851e-04   4.869e-04    -3.314    -3.313     0.002     29.29
O(0)          5.351e-04
   O2              2.676e-04   2.686e-04    -3.573    -3.571     0.002     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -152.814  -152.871    -0.057     20.44
   H2S             0.000e+00   0.000e+00  -154.543  -154.541     0.002     34.96
   S-2             0.000e+00   0.000e+00  -157.045  -157.260    -0.214     (0)  
   (H2S)2          0.000e+00   0.000e+00  -310.419  -310.417     0.002     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -322.880  -322.879     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -473.657  -473.712    -0.055     (0)  
S(6)          1.073e-10
   SO4-2           1.025e-10   6.252e-11    -9.989   -10.204    -0.215     14.40
   NaSO4-          4.416e-12   3.804e-12   -11.355   -11.420    -0.065     14.69
   MgSO4           1.592e-13   1.604e-13   -12.798   -12.795     0.003     -1.74
   CaSO4           1.527e-13   1.533e-13   -12.816   -12.815     0.002      7.30
   BaSO4           2.633e-15   2.643e-15   -14.580   -14.578     0.002     (0)  
   KSO4-           2.175e-16   1.874e-16   -15.662   -15.727    -0.065     21.97
   HSO4-           1.294e-17   1.140e-17   -16.888   -16.943    -0.055     39.99
   CaHSO4+         2.228e-21   1.963e-21   -20.652   -20.707    -0.055     (0)  
   Mg(SO4)2-2      5.747e-23   3.630e-23   -22.241   -22.440    -0.200     38.53
   AlSO4+          3.199e-27   2.821e-27   -26.495   -26.550    -0.055     (0)  
   FeSO4+          9.575e-34   8.464e-34   -33.019   -33.072    -0.054     (0)  
   FeSO4           8.263e-35   8.295e-35   -34.083   -34.081     0.002     24.60
   Al(SO4)2-       6.176e-36   5.448e-36   -35.209   -35.264    -0.055     (0)  
   AlHSO4+2        8.316e-37   5.013e-37   -36.080   -36.300    -0.220     (0)  
   FeHSO4+2        0.000e+00   0.000e+00   -41.103   -41.323    -0.220     (0)  
   Fe(SO4)2-       0.000e+00   0.000e+00   -41.890   -41.945    -0.055     (0)  
   FeHSO4+         0.000e+00   0.000e+00   -41.895   -41.950    -0.055     (0)  
Si            1.260e-11
   H4SiO4          1.180e-11   1.185e-11   -10.928   -10.926     0.002     52.53
   H3SiO4-         7.944e-13   6.991e-13   -12.100   -12.155    -0.055     27.92
   H2SiO4-2        2.650e-17   1.629e-17   -16.577   -16.788    -0.211     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -4.91      6.22   11.13  Al(OH)3
  Albite          -24.60    -42.92  -18.33  NaAlSi3O8
  Alunite         -33.13    -33.90   -0.77  KAl3(SO4)2(OH)6
  Anhydrite       -10.82    -15.05   -4.22  CaSO4
  Anorthite       -23.42    -43.28  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -20.50    -22.45   -1.95  K2SO4
  Barite           -7.39    -17.28   -9.89  BaSO4
  Ca-Montmorillonite -31.82    -77.58  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.77   -147.52   -2.75  CH4
  Chalcedony       -7.32    -10.93   -3.61  SiO2
  Chlorite(14A)   -28.57     41.71   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.46     15.37   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.80     -4.21   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite        -13.39    -15.16   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -166.36   -170.28   -3.92  FeS
  Gibbsite         -2.17      6.22    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum          -10.46    -15.05   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -153.60   -161.55   -7.95  H2S
  Halite           -6.40     -4.83    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite     -13.58    -15.16   -1.57  MgSO4:6H2O
  Illite          -31.69    -72.64  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -46.21    -55.03   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -26.23    -47.19  -20.96  KAlSi3O8
  K-mica          -24.99    -11.55   13.45  KAl3Si3O10(OH)2
  Kaolinite       -17.28     -9.40    7.88  Al2Si2O5(OH)4
  Kieserite       -13.96    -15.16   -1.20  MgSO4:H2O
  Mackinawite    -165.63   -170.28   -4.65  FeS
  Melanterite     -34.02    -36.29   -2.27  FeSO4:7H2O
  Mirabilite      -12.45    -13.91   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -271.11   -289.73  -18.62  FeS2
  Quartz           -6.87    -10.93   -4.06  SiO2
  Sepiolite       -23.86     -7.96   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.62     -7.96   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.83    -29.69  -10.86  FeCO3
  SiO2(a)          -8.17    -10.93   -2.75  SiO2
  Sulfur         -117.44   -112.44    5.00  S
  Sylvite          -9.97     -9.10    0.87  KCl
  Talc            -28.46     -6.48   21.98  Mg3Si4O10(OH)2
  Thenardite      -13.63    -13.91   -0.28  Na2SO4
  Witherite        -2.10    -10.68   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.175 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         4
Grid cell(s) (0-based): 4 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      4
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 4.	Solution after simulation 1.
Using exchange 4.	Exchange assemblage after simulation 1.
Using surface 4.	
Using pure phase assemblage 4.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 4.	Solid solution assemblage after simulation 1
Using gas phase 4.	Gas phase after simulation 1.
Using kinetics 4.	

Kinetics 4.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -3.021e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    3.1142e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.73   1.844e-03  0.997   1.562e-05   1.534e-05  -2.818e-07
Ntg(g)            -0.17   6.786e-01  1.000   5.644e-03   5.644e-03   8.789e-09

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.283e-01   2.283e-01  -2.156e-06
Dolomite          0.00   -17.00    -17.00    1.848e-01   1.848e-01  -2.318e-05
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   8.327e-17

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00     0.00e+00     0.00e+00
                                 Barite     0.00e+00     0.00e+00     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -4.612e-06  Surface charge, eq
	 -7.417e-03  sigma, C/m²
	 -2.352e-02  psi, V
	  9.311e-01  -F*psi/RT
	  2.537e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.597e-04       0.860   4.312e-03      -2.365
	Hfo_sOH           9.469e-05       0.095   4.749e-04      -3.323
	Hfo_sO-           1.899e-05       0.019   9.526e-05      -4.021
	Hfo_sOHBa+2       1.577e-05       0.016   7.907e-05      -4.102
	Hfo_sOH2+         1.081e-05       0.011   5.423e-05      -4.266
	Hfo_sOFe+         1.169e-22       0.000   5.863e-22     -21.232

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.368e-03       0.337   1.689e-02      -1.772
	Hfo_wCO3-         2.630e-03       0.263   1.319e-02      -1.880
	Hfo_wHCO3         1.768e-03       0.177   8.869e-03      -2.052
	Hfo_wOMg+         1.094e-03       0.109   5.488e-03      -2.261
	Hfo_wO-           6.757e-04       0.068   3.389e-03      -2.470
	Hfo_wOH2+         3.846e-04       0.038   1.929e-03      -2.715
	Hfo_wOCa+         7.903e-05       0.008   3.964e-04      -3.402
	Hfo_wOBa+         2.095e-08       0.000   1.051e-07      -6.979
	Hfo_wH2SiO4-      4.717e-09       0.000   2.366e-08      -7.626
	Hfo_wHSiO4-2      2.729e-09       0.000   1.369e-08      -7.864
	Hfo_wH3SiO4       8.735e-10       0.000   4.381e-09      -8.358
	Hfo_wOHSO4-2      8.474e-11       0.000   4.250e-10      -9.372
	Hfo_wSO4-         4.853e-12       0.000   2.434e-11     -10.614
	Hfo_wOFe+         3.881e-23       0.000   1.946e-22     -21.711
	Hfo_wOFeOH        1.782e-23       0.000   8.939e-23     -22.049

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.306e-01   1.306e-01   6.531e-01    -0.055
	CaX2              2.322e-02   4.643e-02   2.322e-01    -0.215
	MgX2              1.128e-02   2.255e-02   1.128e-01    -0.210
	BaX2              1.842e-04   3.684e-04   1.842e-03    -0.223
	KX                3.643e-05   3.643e-05   1.822e-04    -0.057
	AlOHX2            9.443e-14   1.889e-13   9.443e-13     0.056
	AlX3              8.125e-16   2.438e-15   1.219e-14    -0.429
	FeX2              6.979e-24   1.396e-23   6.979e-23    -0.210

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                7.310e-09   1.457e-09
	Ba                1.705e-07   3.400e-08
	C                 1.512e-02   3.015e-03
	Ca                3.283e-05   6.545e-06
	Cl                1.200e-03   2.393e-04
	Fe                2.834e-14   5.650e-15
	K                 8.934e-07   1.781e-07
	Mg                2.355e-05   4.696e-06
	Na                1.653e-02   3.297e-03
	Ntg               4.850e-04   9.671e-05
	S                 4.550e-08   9.073e-09
	Si                1.438e-11   2.866e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.637      Charge balance
                                       pe  =  12.412      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 1329
                         Density (g/cm³)  =   0.99918
                               Volume (L)  =   0.19982
                        Viscosity (mPa s)  =   1.00823
                        Activity of water  =   0.999
                 Ionic strength (mol/kgw)  =   1.706e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   1.545e-02
                       Total CO2 (mol/kg)  =   1.512e-02
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -2.109e-07
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =  16
                                  Total H  = 2.213732e+01
                                  Total O  = 1.107634e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.383e-06   2.964e-06    -5.471    -5.528    -0.057     -4.22
   H+              2.576e-09   2.308e-09    -8.589    -8.637    -0.048      0.00
   H2O             5.551e+01   9.994e-01     1.744    -0.000     0.000     18.05
Al            7.310e-09
   Al(OH)4-        7.301e-09   6.427e-09    -8.137    -8.192    -0.055     (0)  
   Al(OH)3         8.337e-12   8.370e-12   -11.079   -11.077     0.002     (0)  
   Al(OH)2+        2.172e-13   1.919e-13   -12.663   -12.717    -0.054     (0)  
   AlOH+2          1.454e-16   8.868e-17   -15.838   -16.052    -0.215    -27.30
   Al+3            7.695e-20   2.864e-20   -19.114   -19.543    -0.429    -41.41
   AlSO4+          2.531e-24   2.228e-24   -23.597   -23.652    -0.055     (0)  
   Al(SO4)2-       2.053e-30   1.807e-30   -29.688   -29.743    -0.055     (0)  
   AlHSO4+2        7.320e-34   4.377e-34   -33.136   -33.359    -0.223     (0)  
Ba            1.705e-07
   Ba+2            1.498e-07   8.967e-08    -6.824    -7.047    -0.223    -12.76
   BaHCO3+         1.081e-08   9.509e-09    -7.966    -8.022    -0.056     (0)  
   BaCO3           9.860e-09   9.899e-09    -8.006    -8.004     0.002    -10.75
   BaOH+           1.491e-12   1.316e-12   -11.826   -11.881    -0.054     (0)  
   BaSO4           1.176e-12   1.181e-12   -11.930   -11.928     0.002     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.456  -147.455     0.002     35.01
C(4)          1.512e-02
   HCO3-           1.465e-02   1.295e-02    -1.834    -1.888    -0.054     24.16
   CO3-2           3.873e-04   2.362e-04    -3.412    -3.627    -0.215     -4.21
   CO2             7.177e-05   7.205e-05    -4.144    -4.142     0.002     34.19
   CaCO3           5.454e-06   5.476e-06    -5.263    -5.262     0.002    -14.62
   CaHCO3+         2.588e-06   2.293e-06    -5.587    -5.640    -0.053      9.54
   MgCO3           2.447e-06   2.456e-06    -5.611    -5.610     0.002    -17.09
   MgHCO3+         1.990e-06   1.748e-06    -5.701    -5.757    -0.056      5.40
   BaHCO3+         1.081e-08   9.509e-09    -7.966    -8.022    -0.056     (0)  
   BaCO3           9.860e-09   9.899e-09    -8.006    -8.004     0.002    -10.75
   (CO2)2          8.008e-11   8.039e-11   -10.096   -10.095     0.002     68.37
   FeCO3           5.650e-26   5.673e-26   -25.248   -25.246     0.002     (0)  
   FeHCO3+         1.474e-26   1.296e-26   -25.832   -25.887    -0.056     (0)  
Ca            3.283e-05
   Ca+2            2.478e-05   1.511e-05    -4.606    -4.821    -0.215    -17.92
   CaCO3           5.454e-06   5.476e-06    -5.263    -5.262     0.002    -14.62
   CaHCO3+         2.588e-06   2.293e-06    -5.587    -5.640    -0.053      9.54
   CaOH+           1.235e-09   1.086e-09    -8.908    -8.964    -0.056     (0)  
   CaSO4           6.768e-11   6.795e-11   -10.170   -10.168     0.002      7.30
   CaHSO4+         1.095e-18   9.625e-19   -17.961   -18.017    -0.056     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.053e-03    -2.921    -2.978    -0.057     18.00
   HCl             8.492e-13   8.635e-13   -12.071   -12.064     0.007     (0)  
   FeCl+2          8.344e-29   5.055e-29   -28.079   -28.296    -0.218     (0)  
   FeCl+           1.654e-29   1.455e-29   -28.781   -28.837    -0.056     (0)  
   FeCl2+          3.166e-31   2.793e-31   -30.500   -30.554    -0.054     (0)  
   FeCl3           2.929e-35   2.940e-35   -34.533   -34.532     0.002     (0)  
Fe(2)         8.857e-26
   FeCO3           5.650e-26   5.673e-26   -25.248   -25.246     0.002     (0)  
   Fe+2            1.624e-26   1.001e-26   -25.789   -26.000    -0.210    -22.19
   FeHCO3+         1.474e-26   1.296e-26   -25.832   -25.887    -0.056     (0)  
   FeOH+           1.062e-27   9.373e-28   -26.974   -27.028    -0.054     (0)  
   FeCl+           1.654e-29   1.455e-29   -28.781   -28.837    -0.056     (0)  
   Fe(OH)2         2.211e-30   2.219e-30   -29.655   -29.654     0.002     (0)  
   FeSO4           4.244e-32   4.261e-32   -31.372   -31.371     0.002     24.60
   Fe(OH)3-        3.850e-32   3.396e-32   -31.415   -31.469    -0.054     (0)  
   FeHSO4+         7.250e-40   6.376e-40   -39.140   -39.195    -0.056     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -317.459  -317.457     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -465.568  -465.624    -0.056     (0)  
Fe(3)         2.834e-14
   Fe(OH)3         2.037e-14   2.045e-14   -13.691   -13.689     0.002     (0)  
   Fe(OH)4-        7.449e-15   6.583e-15   -14.128   -14.182    -0.054     (0)  
   Fe(OH)2+        5.178e-16   4.576e-16   -15.286   -15.339    -0.054     (0)  
   FeOH+2          6.390e-21   3.871e-21   -20.195   -20.412    -0.218     (0)  
   Fe+3            5.019e-27   1.868e-27   -26.299   -26.729    -0.429     (0)  
   FeCl+2          8.344e-29   5.055e-29   -28.079   -28.296    -0.218     (0)  
   FeSO4+          5.449e-31   4.808e-31   -30.264   -30.318    -0.054     (0)  
   FeCl2+          3.166e-31   2.793e-31   -30.500   -30.554    -0.054     (0)  
   FeCl3           2.929e-35   2.940e-35   -34.533   -34.532     0.002     (0)  
   Fe(SO4)2-       3.080e-37   2.709e-37   -36.511   -36.567    -0.056     (0)  
   FeHSO4+2        4.998e-39   2.989e-39   -38.301   -38.525    -0.223     (0)  
   Fe2(OH)2+4      3.894e-39   4.976e-40   -38.410   -39.303    -0.893     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -50.723   -52.119    -1.396     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.227   -45.225     0.002     28.61
K             8.934e-07
   K+              8.934e-07   7.832e-07    -6.049    -6.106    -0.057      8.92
   KSO4-           9.483e-14   8.148e-14   -13.023   -13.089    -0.066     22.04
Mg            2.355e-05
   Mg+2            1.910e-05   1.177e-05    -4.719    -4.929    -0.210    -21.36
   MgCO3           2.447e-06   2.456e-06    -5.611    -5.610     0.002    -17.09
   MgHCO3+         1.990e-06   1.748e-06    -5.701    -5.757    -0.056      5.40
   MgOH+           1.316e-08   1.169e-08    -7.881    -7.932    -0.052     (0)  
   MgSO4           7.058e-11   7.114e-11   -10.151   -10.148     0.003     -1.74
   Mg(SO4)2-2      1.078e-17   6.762e-18   -16.967   -17.170    -0.203     38.60
Na            1.653e-02
   Na+             1.653e-02   1.457e-02    -1.782    -1.836    -0.055     -1.62
   NaSO4-          1.933e-09   1.661e-09    -8.714    -8.780    -0.066     14.70
   NaOH            4.303e-18   4.320e-18   -17.366   -17.365     0.002     (0)  
Ntg           4.850e-04
   Ntg             4.850e-04   4.869e-04    -3.314    -3.313     0.002     29.29
O(0)          5.351e-04
   O2              2.676e-04   2.686e-04    -3.573    -3.571     0.002     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -150.146  -150.204    -0.057     20.44
   H2S             0.000e+00   0.000e+00  -151.832  -151.831     0.002     34.96
   S-2             0.000e+00   0.000e+00  -154.419  -154.636    -0.218     (0)  
   (H2S)2          0.000e+00   0.000e+00  -304.998  -304.996     0.002     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -317.459  -317.457     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -465.568  -465.624    -0.056     (0)  
S(6)          4.550e-08
   SO4-2           4.343e-08   2.627e-08    -7.362    -7.581    -0.218     14.41
   NaSO4-          1.933e-09   1.661e-09    -8.714    -8.780    -0.066     14.70
   MgSO4           7.058e-11   7.114e-11   -10.151   -10.148     0.003     -1.74
   CaSO4           6.768e-11   6.795e-11   -10.170   -10.168     0.002      7.30
   BaSO4           1.176e-12   1.181e-12   -11.930   -11.928     0.002     (0)  
   KSO4-           9.483e-14   8.148e-14   -13.023   -13.089    -0.066     22.04
   HSO4-           6.025e-15   5.298e-15   -14.220   -14.276    -0.056     40.00
   Mg(SO4)2-2      1.078e-17   6.762e-18   -16.967   -17.170    -0.203     38.60
   CaHSO4+         1.095e-18   9.625e-19   -17.961   -18.017    -0.056     (0)  
   AlSO4+          2.531e-24   2.228e-24   -23.597   -23.652    -0.055     (0)  
   Al(SO4)2-       2.053e-30   1.807e-30   -29.688   -29.743    -0.055     (0)  
   FeSO4+          5.449e-31   4.808e-31   -30.264   -30.318    -0.054     (0)  
   FeSO4           4.244e-32   4.261e-32   -31.372   -31.371     0.002     24.60
   AlHSO4+2        7.320e-34   4.377e-34   -33.136   -33.359    -0.223     (0)  
   Fe(SO4)2-       3.080e-37   2.709e-37   -36.511   -36.567    -0.056     (0)  
   FeHSO4+2        4.998e-39   2.989e-39   -38.301   -38.525    -0.223     (0)  
   FeHSO4+         7.250e-40   6.376e-40   -39.140   -39.195    -0.056     (0)  
Si            1.438e-11
   H4SiO4          1.355e-11   1.360e-11   -10.868   -10.866     0.002     52.53
   H3SiO4-         8.267e-13   7.260e-13   -12.083   -12.139    -0.056     27.92
   H2SiO4-2        2.508e-17   1.530e-17   -16.601   -16.815    -0.215     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -4.76      6.37   11.13  Al(OH)3
  Albite          -24.30    -42.63  -18.33  NaAlSi3O8
  Alunite         -27.31    -28.08   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -8.18    -12.40   -4.22  CaSO4
  Anorthite       -23.08    -42.94  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -17.84    -19.79   -1.95  K2SO4
  Barite           -4.74    -14.63   -9.89  BaSO4
  Ca-Montmorillonite -31.28    -77.03  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.70   -147.45   -2.75  CH4
  Chalcedony       -7.26    -10.87   -3.61  SiO2
  Chlorite(14A)   -28.42     41.85   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.53     15.30   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.74     -4.14   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite        -10.74    -12.51   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -163.65   -167.57   -3.92  FeS
  Gibbsite         -2.03      6.37    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum           -7.82    -12.40   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -150.89   -158.84   -7.95  H2S
  Halite           -6.38     -4.81    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite     -10.94    -12.51   -1.57  MgSO4:6H2O
  Illite          -31.18    -72.13  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -40.82    -49.63   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -25.94    -46.90  -20.96  KAlSi3O8
  K-mica          -24.41    -10.97   13.45  KAl3Si3O10(OH)2
  Kaolinite       -16.87     -9.00    7.88  Al2Si2O5(OH)4
  Kieserite       -11.31    -12.51   -1.20  MgSO4:H2O
  Mackinawite    -162.92   -167.57   -4.65  FeS
  Melanterite     -31.31    -33.58   -2.27  FeSO4:7H2O
  Mirabilite       -9.79    -11.26   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -265.69   -284.31  -18.62  FeS2
  Quartz           -6.81    -10.87   -4.06  SiO2
  Sepiolite       -23.80     -7.91   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.57     -7.91   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.77    -29.63  -10.86  FeCO3
  SiO2(a)          -8.11    -10.87   -2.75  SiO2
  Sulfur         -114.73   -109.73    5.00  S
  Sylvite          -9.96     -9.08    0.87  KCl
  Talc            -28.41     -6.43   21.98  Mg3Si4O10(OH)2
  Thenardite      -10.98    -11.25   -0.28  Na2SO4
  Witherite        -2.10    -10.67   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.205 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         5
Grid cell(s) (0-based): 5 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      5
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 5.	Solution after simulation 1.
Using exchange 5.	Exchange assemblage after simulation 1.
Using surface 5.	
Using pure phase assemblage 5.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 5.	Solid solution assemblage after simulation 1
Using gas phase 5.	Gas phase after simulation 1.
Using kinetics 5.	

Kinetics 5.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -3.034e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    3.1223e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.72   1.899e-03  0.997   1.584e-05   1.580e-05  -4.261e-08
Ntg(g)            -0.17   6.786e-01  1.000   5.644e-03   5.644e-03   1.906e-09

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.283e-01   2.283e-01   1.167e-05
Dolomite          0.00   -17.00    -17.00    1.849e-01   1.849e-01  -9.445e-06
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   1.388e-17

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00     0.00e+00     0.00e+00
                                 Barite     0.00e+00     0.00e+00     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -4.631e-06  Surface charge, eq
	 -7.448e-03  sigma, C/m²
	 -2.351e-02  psi, V
	  9.306e-01  -F*psi/RT
	  2.536e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.610e-04       0.861   4.318e-03      -2.365
	Hfo_sOH           9.380e-05       0.094   4.705e-04      -3.327
	Hfo_sO-           1.844e-05       0.018   9.250e-05      -4.034
	Hfo_sOHBa+2       1.582e-05       0.016   7.932e-05      -4.101
	Hfo_sOH2+         1.093e-05       0.011   5.482e-05      -4.261
	Hfo_sOFe+         1.182e-22       0.000   5.926e-22     -21.227

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.348e-03       0.335   1.679e-02      -1.775
	Hfo_wCO3-         2.638e-03       0.264   1.323e-02      -1.878
	Hfo_wHCO3         1.810e-03       0.181   9.078e-03      -2.042
	Hfo_wOMg+         1.078e-03       0.108   5.405e-03      -2.267
	Hfo_wO-           6.582e-04       0.066   3.301e-03      -2.481
	Hfo_wOH2+         3.901e-04       0.039   1.956e-03      -2.709
	Hfo_wOCa+         7.784e-05       0.008   3.904e-04      -3.409
	Hfo_wOHSO4-2      2.307e-08       0.000   1.157e-07      -6.937
	Hfo_wOBa+         2.067e-08       0.000   1.036e-07      -6.984
	Hfo_wH2SiO4-      4.646e-09       0.000   2.330e-08      -7.633
	Hfo_wHSiO4-2      2.634e-09       0.000   1.321e-08      -7.879
	Hfo_wSO4-         1.348e-09       0.000   6.762e-09      -8.170
	Hfo_wH3SiO4       8.779e-10       0.000   4.403e-09      -8.356
	Hfo_wOFe+         3.936e-23       0.000   1.974e-22     -21.705
	Hfo_wOFeOH        1.772e-23       0.000   8.886e-23     -22.051

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.308e-01   1.308e-01   6.538e-01    -0.055
	CaX2              2.317e-02   4.633e-02   2.317e-01    -0.216
	MgX2              1.125e-02   2.250e-02   1.125e-01    -0.211
	BaX2              1.842e-04   3.683e-04   1.842e-03    -0.224
	KX                3.644e-05   3.644e-05   1.822e-04    -0.057
	AlOHX2            1.195e-13   2.390e-13   1.195e-12     0.056
	AlX3              1.045e-15   3.136e-15   1.568e-14    -0.431
	FeX2              7.171e-24   1.434e-23   7.171e-23    -0.211

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                8.844e-09   1.763e-09
	Ba                1.735e-07   3.459e-08
	C                 1.526e-02   3.042e-03
	Ca                3.324e-05   6.628e-06
	Cl                1.200e-03   2.393e-04
	Fe                2.820e-14   5.623e-15
	K                 9.007e-07   1.796e-07
	Mg                2.388e-05   4.761e-06
	Na                1.669e-02   3.327e-03
	Ntg               4.850e-04   9.671e-05
	S                 1.248e-05   2.489e-06
	Si                1.452e-11   2.895e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.628      Charge balance
                                       pe  =  12.421      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 1340
                         Density (g/cm³)  =   0.99919
                               Volume (L)  =   0.19982
                        Viscosity (mPa s)  =   1.00829
                        Activity of water  =   0.999
                 Ionic strength (mol/kgw)  =   1.722e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   1.558e-02
                       Total CO2 (mol/kg)  =   1.526e-02
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -2.181e-07
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
                               Iterations  =  16
                                  Total H  = 2.213728e+01
                                  Total O  = 1.107640e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.316e-06   2.904e-06    -5.479    -5.537    -0.058     -4.22
   H+              2.631e-09   2.356e-09    -8.580    -8.628    -0.048      0.00
   H2O             5.551e+01   9.994e-01     1.744    -0.000     0.000     18.05
Al            8.844e-09
   Al(OH)4-        8.833e-09   7.772e-09    -8.054    -8.109    -0.056     (0)  
   Al(OH)3         1.029e-11   1.033e-11   -10.988   -10.986     0.002     (0)  
   Al(OH)2+        2.738e-13   2.419e-13   -12.563   -12.616    -0.054     (0)  
   AlOH+2          1.873e-16   1.141e-16   -15.727   -15.943    -0.215    -27.30
   Al+3            1.014e-19   3.761e-20   -18.994   -19.425    -0.431    -41.41
   AlSO4+          9.098e-22   8.005e-22   -21.041   -21.097    -0.056     (0)  
   Al(SO4)2-       2.020e-25   1.777e-25   -24.695   -24.750    -0.056     (0)  
   AlHSO4+2        2.690e-31   1.605e-31   -30.570   -30.794    -0.224     (0)  
Ba            1.735e-07
   Ba+2            1.522e-07   9.089e-08    -6.818    -7.041    -0.224    -12.75
   BaHCO3+         1.106e-08   9.723e-09    -7.956    -8.012    -0.056     (0)  
   BaCO3           9.876e-09   9.916e-09    -8.005    -8.004     0.002    -10.75
   BaSO4           3.262e-10   3.275e-10    -9.486    -9.485     0.002     (0)  
   BaOH+           1.481e-12   1.306e-12   -11.829   -11.884    -0.055     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.444  -147.442     0.002     35.01
C(4)          1.526e-02
   HCO3-           1.479e-02   1.306e-02    -1.830    -1.884    -0.054     24.16
   CO3-2           3.834e-04   2.335e-04    -3.416    -3.632    -0.215     -4.21
   CO2             7.390e-05   7.419e-05    -4.131    -4.130     0.002     34.19
   CaCO3           5.454e-06   5.476e-06    -5.263    -5.262     0.002    -14.62
   CaHCO3+         2.643e-06   2.341e-06    -5.578    -5.631    -0.053      9.54
   MgCO3           2.447e-06   2.456e-06    -5.611    -5.610     0.002    -17.09
   MgHCO3+         2.033e-06   1.784e-06    -5.692    -5.749    -0.057      5.40
   BaHCO3+         1.106e-08   9.723e-09    -7.956    -8.012    -0.056     (0)  
   BaCO3           9.876e-09   9.916e-09    -8.005    -8.004     0.002    -10.75
   (CO2)2          8.491e-11   8.525e-11   -10.071   -10.069     0.002     68.37
   FeCO3           5.818e-26   5.841e-26   -25.235   -25.233     0.002     (0)  
   FeHCO3+         1.550e-26   1.362e-26   -25.810   -25.866    -0.056     (0)  
Ca            3.324e-05
   Ca+2            2.513e-05   1.529e-05    -4.600    -4.816    -0.216    -17.92
   CaCO3           5.454e-06   5.476e-06    -5.263    -5.262     0.002    -14.62
   CaHCO3+         2.643e-06   2.341e-06    -5.578    -5.631    -0.053      9.54
   CaSO4           1.874e-08   1.882e-08    -7.727    -7.725     0.002      7.30
   CaOH+           1.225e-09   1.076e-09    -8.912    -8.968    -0.056     (0)  
   CaHSO4+         3.096e-16   2.721e-16   -15.509   -15.565    -0.056     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.052e-03    -2.921    -2.978    -0.057     18.00
   HCl             8.662e-13   8.810e-13   -12.062   -12.055     0.007     (0)  
   FeCl+2          8.887e-29   5.374e-29   -28.051   -28.270    -0.219     (0)  
   FeCl+           1.724e-29   1.515e-29   -28.764   -28.820    -0.056     (0)  
   FeCl2+          3.365e-31   2.967e-31   -30.473   -30.528    -0.055     (0)  
   FeCl3           3.110e-35   3.122e-35   -34.507   -34.506     0.002     (0)  
Fe(2)         9.176e-26
   FeCO3           5.818e-26   5.841e-26   -25.235   -25.233     0.002     (0)  
   Fe+2            1.696e-26   1.043e-26   -25.771   -25.982    -0.211    -22.19
   FeHCO3+         1.550e-26   1.362e-26   -25.810   -25.866    -0.056     (0)  
   FeOH+           1.085e-27   9.567e-28   -26.965   -27.019    -0.055     (0)  
   FeCl+           1.724e-29   1.515e-29   -28.764   -28.820    -0.056     (0)  
   FeSO4           1.210e-29   1.215e-29   -28.917   -28.915     0.002     24.60
   Fe(OH)2         2.211e-30   2.219e-30   -29.655   -29.654     0.002     (0)  
   Fe(OH)3-        3.773e-32   3.327e-32   -31.423   -31.478    -0.055     (0)  
   FeHSO4+         2.112e-37   1.856e-37   -36.675   -36.731    -0.056     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -312.549  -312.547     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -458.212  -458.268    -0.056     (0)  
Fe(3)         2.820e-14
   Fe(OH)3         2.037e-14   2.045e-14   -13.691   -13.689     0.002     (0)  
   Fe(OH)4-        7.301e-15   6.449e-15   -14.137   -14.190    -0.054     (0)  
   Fe(OH)2+        5.288e-16   4.672e-16   -15.277   -15.331    -0.054     (0)  
   FeOH+2          6.671e-21   4.034e-21   -20.176   -20.394    -0.219     (0)  
   Fe+3            5.356e-27   1.987e-27   -26.271   -26.702    -0.431     (0)  
   FeSO4+          1.587e-28   1.400e-28   -27.799   -27.854    -0.055     (0)  
   FeCl+2          8.887e-29   5.374e-29   -28.051   -28.270    -0.219     (0)  
   FeCl2+          3.365e-31   2.967e-31   -30.473   -30.528    -0.055     (0)  
   Fe(SO4)2-       2.455e-32   2.158e-32   -31.610   -31.666    -0.056     (0)  
   FeCl3           3.110e-35   3.122e-35   -34.507   -34.506     0.002     (0)  
   FeHSO4+2        1.488e-36   8.881e-37   -35.827   -36.052    -0.224     (0)  
   Fe2(OH)2+4      4.262e-39   5.403e-40   -38.370   -39.267    -0.897     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -50.673   -52.074    -1.401     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.227   -45.225     0.002     28.61
K             9.007e-07
   K+              9.007e-07   7.891e-07    -6.045    -6.103    -0.057      8.92
   KSO4-           2.617e-11   2.247e-11   -10.582   -10.648    -0.066     22.06
Mg            2.388e-05
   Mg+2            1.937e-05   1.191e-05    -4.713    -4.924    -0.211    -21.36
   MgCO3           2.447e-06   2.456e-06    -5.611    -5.610     0.002    -17.09
   MgHCO3+         2.033e-06   1.784e-06    -5.692    -5.749    -0.057      5.40
   MgSO4           1.955e-08   1.970e-08    -7.709    -7.705     0.003     -1.74
   MgOH+           1.305e-08   1.158e-08    -7.884    -7.936    -0.052     (0)  
   Mg(SO4)2-2      8.185e-13   5.126e-13   -12.087   -12.290    -0.203     38.61
Na            1.669e-02
   Na+             1.669e-02   1.470e-02    -1.778    -1.833    -0.055     -1.62
   NaSO4-          5.341e-07   4.584e-07    -6.272    -6.339    -0.066     14.70
   NaOH            4.251e-18   4.268e-18   -17.371   -17.370     0.002     (0)  
Ntg           4.850e-04
   Ntg             4.850e-04   4.869e-04    -3.314    -3.313     0.002     29.29
O(0)          5.351e-04
   O2              2.676e-04   2.686e-04    -3.573    -3.571     0.002     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -147.700  -147.758    -0.058     20.44
   H2S             0.000e+00   0.000e+00  -149.377  -149.376     0.002     34.96
   S-2             0.000e+00   0.000e+00  -151.981  -152.199    -0.219     (0)  
   (H2S)2          0.000e+00   0.000e+00  -300.088  -300.086     0.002     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -312.549  -312.547     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -458.212  -458.268    -0.056     (0)  
S(6)          1.248e-05
   SO4-2           1.191e-05   7.190e-06    -4.924    -5.143    -0.219     14.41
   NaSO4-          5.341e-07   4.584e-07    -6.272    -6.339    -0.066     14.70
   MgSO4           1.955e-08   1.970e-08    -7.709    -7.705     0.003     -1.74
   CaSO4           1.874e-08   1.882e-08    -7.727    -7.725     0.002      7.30
   BaSO4           3.262e-10   3.275e-10    -9.486    -9.485     0.002     (0)  
   KSO4-           2.617e-11   2.247e-11   -10.582   -10.648    -0.066     22.06
   HSO4-           1.684e-12   1.480e-12   -11.774   -11.830    -0.056     40.00
   Mg(SO4)2-2      8.185e-13   5.126e-13   -12.087   -12.290    -0.203     38.61
   CaHSO4+         3.096e-16   2.721e-16   -15.509   -15.565    -0.056     (0)  
   AlSO4+          9.098e-22   8.005e-22   -21.041   -21.097    -0.056     (0)  
   Al(SO4)2-       2.020e-25   1.777e-25   -24.695   -24.750    -0.056     (0)  
   FeSO4+          1.587e-28   1.400e-28   -27.799   -27.854    -0.055     (0)  
   FeSO4           1.210e-29   1.215e-29   -28.917   -28.915     0.002     24.60
   AlHSO4+2        2.690e-31   1.605e-31   -30.570   -30.794    -0.224     (0)  
   Fe(SO4)2-       2.455e-32   2.158e-32   -31.610   -31.666    -0.056     (0)  
   FeHSO4+2        1.488e-36   8.881e-37   -35.827   -36.052    -0.224     (0)  
   FeHSO4+         2.112e-37   1.856e-37   -36.675   -36.731    -0.056     (0)  
Si            1.452e-11
   H4SiO4          1.370e-11   1.375e-11   -10.863   -10.862     0.002     52.53
   H3SiO4-         8.193e-13   7.191e-13   -12.087   -12.143    -0.057     27.92
   H2SiO4-2        2.438e-17   1.484e-17   -16.613   -16.828    -0.215     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -4.67      6.46   11.13  Al(OH)3
  Albite          -24.20    -42.52  -18.33  NaAlSi3O8
  Alunite         -22.13    -22.90   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -5.74     -9.96   -4.22  CaSO4
  Anorthite       -22.90    -42.76  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -15.40    -17.35   -1.95  K2SO4
  Barite           -2.29    -12.18   -9.89  BaSO4
  Ca-Montmorillonite -31.05    -76.80  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.69   -147.44   -2.75  CH4
  Chalcedony       -7.25    -10.86   -3.61  SiO2
  Chlorite(14A)   -28.29     41.99   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.56     15.27   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.72     -4.13   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -8.30    -10.07   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -161.20   -165.11   -3.92  FeS
  Gibbsite         -1.94      6.46    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum           -5.38     -9.96   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -148.44   -156.39   -7.95  H2S
  Halite           -6.38     -4.81    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite      -8.50    -10.07   -1.57  MgSO4:6H2O
  Illite          -30.96    -71.91  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -35.91    -44.73   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -25.84    -46.80  -20.96  KAlSi3O8
  K-mica          -24.13    -10.68   13.45  KAl3Si3O10(OH)2
  Kaolinite       -16.68     -8.81    7.88  Al2Si2O5(OH)4
  Kieserite        -8.87    -10.07   -1.20  MgSO4:H2O
  Mackinawite    -160.46   -165.11   -4.65  FeS
  Melanterite     -28.86    -31.13   -2.27  FeSO4:7H2O
  Mirabilite       -7.35     -8.81   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -260.78   -279.40  -18.62  FeS2
  Quartz           -6.81    -10.86   -4.06  SiO2
  Sepiolite       -23.82     -7.92   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.58     -7.92   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.75    -29.61  -10.86  FeCO3
  SiO2(a)          -8.11    -10.86   -2.75  SiO2
  Sulfur         -112.28   -107.28    5.00  S
  Sylvite          -9.96     -9.08    0.87  KCl
  Talc            -28.43     -6.45   21.98  Mg3Si4O10(OH)2
  Thenardite       -8.53     -8.81   -0.28  Na2SO4
  Witherite        -2.10    -10.67   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.237 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         6
Grid cell(s) (0-based): 6 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      6
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 6.	Solution after simulation 1.
Using exchange 6.	Exchange assemblage after simulation 1.
Using surface 6.	
Using pure phase assemblage 6.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 6.	Solid solution assemblage after simulation 1
Using gas phase 6.	Gas phase after simulation 1.
Using kinetics 6.	

Kinetics 6.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -3.000e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    3.0736e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.72   1.896e-03  0.997   1.550e-05   1.577e-05   2.723e-07
Ntg(g)            -0.17   6.786e-01  1.000   5.644e-03   5.644e-03   2.912e-08

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.282e-01   2.282e-01   4.864e-05
Dolomite          0.00   -17.00    -17.00    1.849e-01   1.849e-01   2.287e-06
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   1.388e-17

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     0.00e+00
                              Anhydrite     0.00e+00    -1.02e-07     0.00e+00
                                 Barite     0.00e+00    -1.17e-04     0.00e+00

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -4.573e-06  Surface charge, eq
	 -7.354e-03  sigma, C/m²
	 -2.152e-02  psi, V
	  8.520e-01  -F*psi/RT
	  2.344e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.612e-04       0.861   4.319e-03      -2.365
	Hfo_sOH           9.367e-05       0.094   4.698e-04      -3.328
	Hfo_sO-           1.842e-05       0.018   9.236e-05      -4.034
	Hfo_sOHBa+2       1.578e-05       0.016   7.912e-05      -4.102
	Hfo_sOH2+         1.091e-05       0.011   5.474e-05      -4.262
	Hfo_sOFe+         1.180e-22       0.000   5.917e-22     -21.228

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.349e-03       0.335   1.679e-02      -1.775
	Hfo_wCO3-         2.634e-03       0.263   1.321e-02      -1.879
	Hfo_wHCO3         1.807e-03       0.181   9.065e-03      -2.043
	Hfo_wOMg+         1.080e-03       0.108   5.415e-03      -2.266
	Hfo_wO-           6.584e-04       0.066   3.302e-03      -2.481
	Hfo_wOH2+         3.902e-04       0.039   1.957e-03      -2.708
	Hfo_wOCa+         7.799e-05       0.008   3.911e-04      -3.408
	Hfo_wOHSO4-2      3.040e-06       0.000   1.525e-05      -4.817
	Hfo_wSO4-         1.777e-07       0.000   8.910e-07      -6.050
	Hfo_wOBa+         2.065e-08       0.000   1.036e-07      -6.985
	Hfo_wH2SiO4-      4.552e-09       0.000   2.283e-08      -7.642
	Hfo_wHSiO4-2      2.581e-09       0.000   1.294e-08      -7.888
	Hfo_wH3SiO4       8.601e-10       0.000   4.314e-09      -8.365
	Hfo_wOFe+         3.936e-23       0.000   1.974e-22     -21.705
	Hfo_wOFeOH        1.772e-23       0.000   8.886e-23     -22.051

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.308e-01   1.308e-01   6.539e-01    -0.059
	CaX2              2.317e-02   4.634e-02   2.317e-01    -0.230
	MgX2              1.124e-02   2.247e-02   1.124e-01    -0.225
	BaX2              1.842e-04   3.684e-04   1.842e-03    -0.240
	KX                3.644e-05   3.644e-05   1.822e-04    -0.062
	AlOHX2            1.437e-13   2.873e-13   1.437e-12     0.060
	AlX3              1.322e-15   3.967e-15   1.983e-14    -0.456
	FeX2              7.150e-24   1.430e-23   7.150e-23    -0.225

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.036e-08   2.066e-09
	Ba                2.493e-07   4.970e-08
	C                 1.419e-02   2.828e-03
	Ca                4.126e-05   8.227e-06
	Cl                1.200e-03   2.393e-04
	Fe                2.774e-14   5.531e-15
	K                 9.948e-07   1.984e-07
	Mg                3.071e-05   6.122e-06
	Na                1.844e-02   3.676e-03
	Ntg               4.847e-04   9.664e-05
	S                 1.460e-03   2.910e-04
	Si                1.416e-11   2.823e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.594      Charge balance
                                       pe  =  12.455      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 1527
                         Density (g/cm³)  =   0.99931
                               Volume (L)  =   0.19982
                        Viscosity (mPa s)  =   1.00937
                        Activity of water  =   0.999
                 Ionic strength (mol/kgw)  =   2.026e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   1.446e-02
                       Total CO2 (mol/kg)  =   1.419e-02
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =   4.760e-07
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.01
                               Iterations  =  43
                                  Total H  = 2.213723e+01
                                  Total O  = 1.107698e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.095e-06   2.684e-06    -5.509    -5.571    -0.062     -4.21
   H+              2.865e-09   2.549e-09    -8.543    -8.594    -0.051      0.00
   H2O             5.551e+01   9.994e-01     1.744    -0.000     0.000     18.05
Al            1.036e-08
   Al(OH)4-        1.035e-08   9.024e-09    -7.985    -8.045    -0.060     (0)  
   Al(OH)3         1.292e-11   1.298e-11   -10.889   -10.887     0.002     (0)  
   Al(OH)2+        3.752e-13   3.287e-13   -12.426   -12.483    -0.058     (0)  
   AlOH+2          2.848e-16   1.677e-16   -15.545   -15.775    -0.230    -27.28
   Al+3            1.711e-19   5.982e-20   -18.767   -19.223    -0.456    -41.36
   AlSO4+          1.644e-19   1.433e-19   -18.784   -18.844    -0.060     (0)  
   Al(SO4)2-       4.108e-21   3.582e-21   -20.386   -20.446    -0.060     (0)  
   AlHSO4+2        5.401e-29   3.109e-29   -28.268   -28.507    -0.240     (0)  
Ba            2.493e-07
   Ba+2            1.845e-07   1.063e-07    -6.734    -6.974    -0.240    -12.72
   BaSO4           4.290e-08   4.310e-08    -7.368    -7.366     0.002     (0)  
   BaHCO3+         1.204e-08   1.049e-08    -7.919    -7.979    -0.060     (0)  
   BaCO3           9.842e-09   9.888e-09    -8.007    -8.005     0.002    -10.75
   BaOH+           1.615e-12   1.412e-12   -11.792   -11.850    -0.058     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.445  -147.443     0.002     35.01
C(4)          1.419e-02
   HCO3-           1.376e-02   1.205e-02    -1.861    -1.919    -0.058     24.19
   CO3-2           3.382e-04   1.992e-04    -3.471    -3.701    -0.230     -4.16
   CO2             7.372e-05   7.407e-05    -4.132    -4.130     0.002     34.19
   CaCO3           5.450e-06   5.476e-06    -5.264    -5.262     0.002    -14.62
   CaHCO3+         2.883e-06   2.532e-06    -5.540    -5.596    -0.056      9.54
   MgCO3           2.445e-06   2.456e-06    -5.612    -5.610     0.002    -17.09
   MgHCO3+         2.220e-06   1.930e-06    -5.654    -5.714    -0.061      5.40
   BaHCO3+         1.204e-08   1.049e-08    -7.919    -7.979    -0.060     (0)  
   BaCO3           9.842e-09   9.888e-09    -8.007    -8.005     0.002    -10.75
   (CO2)2          8.457e-11   8.496e-11   -10.073   -10.071     0.002     68.37
   FeCO3           5.804e-26   5.831e-26   -25.236   -25.234     0.002     (0)  
   FeHCO3+         1.689e-26   1.471e-26   -25.772   -25.832    -0.060     (0)  
Ca            4.126e-05
   Ca+2            3.046e-05   1.793e-05    -4.516    -4.747    -0.230    -17.89
   CaCO3           5.450e-06   5.476e-06    -5.264    -5.262     0.002    -14.62
   CaHCO3+         2.883e-06   2.532e-06    -5.540    -5.596    -0.056      9.54
   CaSO4           2.472e-06   2.483e-06    -5.607    -5.605     0.002      7.30
   CaOH+           1.339e-09   1.166e-09    -8.873    -8.933    -0.060     (0)  
   CaHSO4+         4.459e-14   3.884e-14   -13.351   -13.411    -0.060     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.042e-03    -2.921    -2.982    -0.061     18.01
   HCl             9.255e-13   9.441e-13   -12.034   -12.025     0.009     (0)  
   FeCl+2          1.154e-28   6.740e-29   -27.938   -28.171    -0.234     (0)  
   FeCl+           2.016e-29   1.756e-29   -28.696   -28.755    -0.060     (0)  
   FeCl2+          4.217e-31   3.687e-31   -30.375   -30.433    -0.058     (0)  
   FeCl3           3.825e-35   3.843e-35   -34.417   -34.415     0.002     (0)  
Fe(2)         9.822e-26
   FeCO3           5.804e-26   5.831e-26   -25.236   -25.234     0.002     (0)  
   Fe+2            2.049e-26   1.221e-26   -25.688   -25.913    -0.225    -22.16
   FeHCO3+         1.689e-26   1.471e-26   -25.772   -25.832    -0.060     (0)  
   FeSO4           1.593e-27   1.600e-27   -26.798   -26.796     0.002     24.60
   FeOH+           1.184e-27   1.035e-27   -26.927   -26.985    -0.058     (0)  
   FeCl+           2.016e-29   1.756e-29   -28.696   -28.755    -0.060     (0)  
   Fe(OH)2         2.209e-30   2.219e-30   -29.656   -29.654     0.002     (0)  
   Fe(OH)3-        3.517e-32   3.075e-32   -31.454   -31.512    -0.058     (0)  
   FeHSO4+         3.036e-35   2.645e-35   -34.518   -34.578    -0.060     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -308.311  -308.309     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -451.885  -451.945    -0.060     (0)  
Fe(3)         2.774e-14
   Fe(OH)3         2.036e-14   2.045e-14   -13.691   -13.689     0.002     (0)  
   Fe(OH)4-        6.805e-15   5.961e-15   -14.167   -14.225    -0.058     (0)  
   Fe(OH)2+        5.769e-16   5.054e-16   -15.239   -15.296    -0.058     (0)  
   FeOH+2          8.082e-21   4.721e-21   -20.092   -20.326    -0.234     (0)  
   FeSO4+          2.282e-26   1.995e-26   -25.642   -25.700    -0.058     (0)  
   Fe+3            7.195e-27   2.516e-27   -26.143   -26.599    -0.456     (0)  
   Fe(SO4)2-       3.974e-28   3.462e-28   -27.401   -27.461    -0.060     (0)  
   FeCl+2          1.154e-28   6.740e-29   -27.938   -28.171    -0.234     (0)  
   FeCl2+          4.217e-31   3.687e-31   -30.375   -30.433    -0.058     (0)  
   FeHSO4+2        2.378e-34   1.369e-34   -33.624   -33.864    -0.240     (0)  
   FeCl3           3.825e-35   3.843e-35   -34.417   -34.415     0.002     (0)  
   Fe2(OH)2+4      6.737e-39   7.401e-40   -38.172   -39.131    -0.959     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -50.405   -51.903    -1.499     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.228   -45.226     0.002     28.61
K             9.948e-07
   K+              9.916e-07   8.605e-07    -6.004    -6.065    -0.062      8.93
   KSO4-           3.254e-09   2.758e-09    -8.488    -8.559    -0.072     22.37
Mg            3.071e-05
   Mg+2            2.344e-05   1.396e-05    -4.630    -4.855    -0.225    -21.33
   MgSO4           2.576e-06   2.600e-06    -5.589    -5.585     0.004     -1.74
   MgCO3           2.445e-06   2.456e-06    -5.612    -5.610     0.002    -17.09
   MgHCO3+         2.220e-06   1.930e-06    -5.654    -5.714    -0.061      5.40
   MgOH+           1.426e-08   1.255e-08    -7.846    -7.901    -0.055     (0)  
   Mg(SO4)2-2      1.252e-08   7.613e-09    -7.902    -8.118    -0.216     38.91
Na            1.844e-02
   Na+             1.837e-02   1.604e-02    -1.736    -1.795    -0.059     -1.60
   NaSO4-          6.647e-05   5.632e-05    -4.177    -4.249    -0.072     14.77
   NaOH            4.286e-18   4.306e-18   -17.368   -17.366     0.002     (0)  
Ntg           4.847e-04
   Ntg             4.847e-04   4.869e-04    -3.315    -3.313     0.002     29.29
O(0)          5.351e-04
   O2              2.676e-04   2.688e-04    -3.573    -3.571     0.002     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -145.611  -145.673    -0.062     20.45
   H2S             0.000e+00   0.000e+00  -147.259  -147.256     0.002     34.96
   S-2             0.000e+00   0.000e+00  -149.915  -150.148    -0.234     (0)  
   (H2S)2          0.000e+00   0.000e+00  -295.850  -295.848     0.002     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -308.311  -308.309     0.002     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -451.885  -451.945    -0.060     (0)  
S(6)          1.460e-03
   SO4-2           1.388e-03   8.093e-04    -2.858    -3.092    -0.234     14.45
   NaSO4-          6.647e-05   5.632e-05    -4.177    -4.249    -0.072     14.77
   MgSO4           2.576e-06   2.600e-06    -5.589    -5.585     0.004     -1.74
   CaSO4           2.472e-06   2.483e-06    -5.607    -5.605     0.002      7.30
   BaSO4           4.290e-08   4.310e-08    -7.368    -7.366     0.002     (0)  
   Mg(SO4)2-2      1.252e-08   7.613e-09    -7.902    -8.118    -0.216     38.91
   KSO4-           3.254e-09   2.758e-09    -8.488    -8.559    -0.072     22.37
   HSO4-           2.069e-10   1.802e-10    -9.684    -9.744    -0.060     40.01
   CaHSO4+         4.459e-14   3.884e-14   -13.351   -13.411    -0.060     (0)  
   AlSO4+          1.644e-19   1.433e-19   -18.784   -18.844    -0.060     (0)  
   Al(SO4)2-       4.108e-21   3.582e-21   -20.386   -20.446    -0.060     (0)  
   FeSO4+          2.282e-26   1.995e-26   -25.642   -25.700    -0.058     (0)  
   FeSO4           1.593e-27   1.600e-27   -26.798   -26.796     0.002     24.60
   Fe(SO4)2-       3.974e-28   3.462e-28   -27.401   -27.461    -0.060     (0)  
   AlHSO4+2        5.401e-29   3.109e-29   -28.268   -28.507    -0.240     (0)  
   FeHSO4+2        2.378e-34   1.369e-34   -33.624   -33.864    -0.240     (0)  
   FeHSO4+         3.036e-35   2.645e-35   -34.518   -34.578    -0.060     (0)  
Si            1.416e-11
   H4SiO4          1.341e-11   1.347e-11   -10.873   -10.871     0.002     52.53
   H3SiO4-         7.487e-13   6.511e-13   -12.126   -12.186    -0.061     27.93
   H2SiO4-2        2.110e-17   1.242e-17   -16.676   -16.906    -0.230     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -4.57      6.56   11.13  Al(OH)3
  Albite          -24.12    -42.45  -18.33  NaAlSi3O8
  Alunite         -17.59    -18.36   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -3.62     -7.84   -4.22  CaSO4
  Anorthite       -22.72    -42.57  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -13.27    -15.22   -1.95  K2SO4
  Barite           -0.17    -10.07   -9.89  BaSO4
  Ca-Montmorillonite -30.85    -76.61  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.69   -147.44   -2.75  CH4
  Chalcedony       -7.26    -10.87   -3.61  SiO2
  Chlorite(14A)   -28.11     42.16   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.58     15.25   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.72     -4.13   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -6.18     -7.95   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -159.08   -162.99   -3.92  FeS
  Gibbsite         -1.84      6.56    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum           -3.26     -7.84   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -146.32   -154.27   -7.95  H2S
  Halite           -6.34     -4.78    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite      -6.38     -7.95   -1.57  MgSO4:6H2O
  Illite          -30.76    -71.71  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -31.67    -40.49   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -25.76    -46.72  -20.96  KAlSi3O8
  K-mica          -23.86    -10.41   13.45  KAl3Si3O10(OH)2
  Kaolinite       -16.50     -8.63    7.88  Al2Si2O5(OH)4
  Kieserite        -6.75     -7.95   -1.20  MgSO4:H2O
  Mackinawite    -158.34   -162.99   -4.65  FeS
  Melanterite     -26.74    -29.01   -2.27  FeSO4:7H2O
  Mirabilite       -5.22     -6.68   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -256.54   -275.16  -18.62  FeS2
  Quartz           -6.81    -10.87   -4.06  SiO2
  Sepiolite       -23.84     -7.95   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.61     -7.95   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.76    -29.61  -10.86  FeCO3
  SiO2(a)          -8.12    -10.87   -2.75  SiO2
  Sulfur         -110.16   -105.16    5.00  S
  Sylvite          -9.92     -9.05    0.87  KCl
  Talc            -28.46     -6.49   21.98  Mg3Si4O10(OH)2
  Thenardite       -6.40     -6.68   -0.28  Na2SO4
  Witherite        -2.10    -10.67   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.273 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         7
Grid cell(s) (0-based): 7 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      7
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 7.	Solution after simulation 1.
Using exchange 7.	Exchange assemblage after simulation 1.
Using surface 7.	
Using pure phase assemblage 7.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 7.	Solid solution assemblage after simulation 1
Using gas phase 7.	Gas phase after simulation 1.
Using kinetics 7.	

Kinetics 7.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.911e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.9772e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.73   1.850e-03  0.997   1.549e-05   1.539e-05  -1.036e-07
Ntg(g)            -0.17   6.786e-01  1.000   5.644e-03   5.644e-03   4.400e-08

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite          -0.00    -8.45     -8.45    2.280e-01   2.282e-01   1.662e-04
Dolomite         -0.00   -17.00    -17.00    1.849e-01   1.848e-01  -9.071e-05
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   2.776e-17

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     1.36e-04
                              Anhydrite     1.54e-07    -2.02e-06     1.14e-03
                                 Barite     1.36e-04    -5.75e-05     9.99e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -4.170e-06  Surface charge, eq
	 -6.706e-03  sigma, C/m²
	 -1.680e-02  psi, V
	  6.652e-01  -F*psi/RT
	  1.945e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.706e-04       0.871   4.366e-03      -2.360
	Hfo_sOH           9.463e-05       0.095   4.746e-04      -3.324
	Hfo_sO-           1.883e-05       0.019   9.444e-05      -4.025
	Hfo_sOH2+         1.089e-05       0.011   5.464e-05      -4.263
	Hfo_sOHBa+2       5.066e-06       0.005   2.541e-05      -4.595
	Hfo_sOFe+         1.177e-22       0.000   5.904e-22     -21.229

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.364e-03       0.336   1.687e-02      -1.773
	Hfo_wCO3-         2.614e-03       0.261   1.311e-02      -1.882
	Hfo_wHCO3         1.772e-03       0.177   8.886e-03      -2.051
	Hfo_wOMg+         1.099e-03       0.110   5.510e-03      -2.259
	Hfo_wO-           6.695e-04       0.067   3.358e-03      -2.474
	Hfo_wOH2+         3.873e-04       0.039   1.942e-03      -2.712
	Hfo_wOCa+         7.935e-05       0.008   3.979e-04      -3.400
	Hfo_wOHSO4-2      1.429e-05       0.001   7.167e-05      -4.145
	Hfo_wSO4-         8.251e-07       0.000   4.138e-06      -5.383
	Hfo_wOBa+         6.674e-09       0.000   3.347e-08      -7.475
	Hfo_wH2SiO4-      4.456e-09       0.000   2.235e-08      -7.651
	Hfo_wHSiO4-2      2.557e-09       0.000   1.282e-08      -7.892
	Hfo_wH3SiO4       8.319e-10       0.000   4.172e-09      -8.380
	Hfo_wOFe+         3.906e-23       0.000   1.959e-22     -21.708
	Hfo_wOFeOH        1.779e-23       0.000   8.924e-23     -22.049

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.310e-01   1.310e-01   6.548e-01    -0.067
	CaX2              2.322e-02   4.644e-02   2.322e-01    -0.262
	MgX2              1.122e-02   2.244e-02   1.122e-01    -0.256
	BaX2              5.905e-05   1.181e-04   5.905e-04    -0.275
	KX                3.645e-05   3.645e-05   1.823e-04    -0.071
	AlOHX2            1.692e-13   3.383e-13   1.692e-12     0.069
	AlX3              1.720e-15   5.160e-15   2.580e-14    -0.512
	FeX2              6.970e-24   1.394e-23   6.970e-23    -0.256

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.174e-08   2.340e-09
	Ba                1.638e-07   3.266e-08
	C                 1.182e-02   2.357e-03
	Ca                6.814e-05   1.359e-05
	Cl                1.200e-03   2.393e-04
	Fe                2.684e-14   5.351e-15
	K                 1.253e-06   2.498e-07
	Mg                5.391e-05   1.075e-05
	Na                2.326e-02   4.637e-03
	Ntg               4.838e-04   9.646e-05
	S                 5.124e-03   1.022e-03
	Si                1.350e-11   2.692e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.518      Charge balance
                                       pe  =  12.531      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 2015
                         Density (g/cm³)  =   0.99964
                               Volume (L)  =   0.19983
                        Viscosity (mPa s)  =   1.01165
                        Activity of water  =   0.999
                 Ionic strength (mol/kgw)  =   2.830e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   1.201e-02
                       Total CO2 (mol/kg)  =   1.182e-02
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =   9.105e-06
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.10
                               Iterations  =  20
                                  Total H  = 2.213746e+01
                                  Total O  = 1.107883e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             2.656e-06   2.253e-06    -5.576    -5.647    -0.071     -4.18
   H+              3.460e-09   3.036e-09    -8.461    -8.518    -0.057      0.00
   H2O             5.551e+01   9.993e-01     1.744    -0.000     0.000     18.05
Al            1.174e-08
   Al(OH)4-        1.172e-08   1.002e-08    -7.931    -7.999    -0.068     (0)  
   Al(OH)3         1.704e-11   1.716e-11   -10.768   -10.766     0.003     (0)  
   Al(OH)2+        6.018e-13   5.175e-13   -12.221   -12.286    -0.066     (0)  
   AlOH+2          5.752e-16   3.145e-16   -15.240   -15.502    -0.262    -27.22
   AlSO4+          1.206e-18   1.031e-18   -17.919   -17.987    -0.068     (0)  
   Al+3            4.342e-19   1.336e-19   -18.362   -18.874    -0.512    -41.26
   Al(SO4)2-       9.704e-20   8.294e-20   -19.013   -19.081    -0.068     (0)  
   AlHSO4+2        5.006e-28   2.663e-28   -27.300   -27.575    -0.274     (0)  
Ba            1.638e-07
   Ba+2            9.234e-08   4.907e-08    -7.035    -7.309    -0.275    -12.66
   BaSO4           6.367e-08   6.408e-08    -7.196    -7.193     0.003     (0)  
   BaHCO3+         4.647e-09   3.969e-09    -8.333    -8.401    -0.069     (0)  
   BaCO3           3.121e-09   3.141e-09    -8.506    -8.503     0.003    -10.75
   BaOH+           6.382e-13   5.474e-13   -12.195   -12.262    -0.067     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.459  -147.456     0.003     35.01
C(4)          1.182e-02
   HCO3-           1.148e-02   9.875e-03    -1.940    -2.005    -0.066     24.25
   CO3-2           2.506e-04   1.370e-04    -3.601    -3.863    -0.262     -4.05
   CO2             7.180e-05   7.227e-05    -4.144    -4.141     0.003     34.19
   CaCO3           5.440e-06   5.476e-06    -5.264    -5.262     0.003    -14.62
   CaHCO3+         3.494e-06   3.016e-06    -5.457    -5.521    -0.064      9.56
   MgHCO3+         2.699e-06   2.299e-06    -5.569    -5.638    -0.070      5.42
   MgCO3           2.440e-06   2.456e-06    -5.613    -5.610     0.003    -17.09
   BaHCO3+         4.647e-09   3.969e-09    -8.333    -8.401    -0.069     (0)  
   BaCO3           3.121e-09   3.141e-09    -8.506    -8.503     0.003    -10.75
   (CO2)2          8.037e-11   8.089e-11   -10.095   -10.092     0.003     68.37
   FeCO3           5.650e-26   5.687e-26   -25.248   -25.245     0.003     (0)  
   FeHCO3+         2.001e-26   1.709e-26   -25.699   -25.767    -0.069     (0)  
Ca            6.814e-05
   Ca+2            4.766e-05   2.606e-05    -4.322    -4.584    -0.262    -17.83
   CaSO4           1.155e-05   1.162e-05    -4.938    -4.935     0.003      7.30
   CaCO3           5.440e-06   5.476e-06    -5.264    -5.262     0.003    -14.62
   CaHCO3+         3.494e-06   3.016e-06    -5.457    -5.521    -0.064      9.56
   CaOH+           1.667e-09   1.424e-09    -8.778    -8.847    -0.069     (0)  
   CaHSO4+         2.535e-13   2.165e-13   -12.596   -12.664    -0.069     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   1.020e-03    -2.921    -2.991    -0.070     18.03
   HCl             1.071e-12   1.101e-12   -11.970   -11.958     0.012     (0)  
   FeCl+2          2.061e-28   1.115e-28   -27.686   -27.953    -0.267     (0)  
   FeCl+           2.854e-29   2.438e-29   -28.544   -28.613    -0.069     (0)  
   FeCl2+          6.961e-31   5.970e-31   -30.157   -30.224    -0.067     (0)  
   FeCl3           6.053e-35   6.092e-35   -34.218   -34.215     0.003     (0)  
Fe(2)         1.164e-25
   FeCO3           5.650e-26   5.687e-26   -25.248   -25.245     0.003     (0)  
   Fe+2            3.118e-26   1.731e-26   -25.506   -25.762    -0.256    -22.10
   FeHCO3+         2.001e-26   1.709e-26   -25.699   -25.767    -0.069     (0)  
   FeSO4           7.259e-27   7.306e-27   -26.139   -26.136     0.003     24.60
   FeOH+           1.436e-27   1.232e-27   -26.843   -26.909    -0.067     (0)  
   FeCl+           2.854e-29   2.438e-29   -28.544   -28.613    -0.069     (0)  
   Fe(OH)2         2.203e-30   2.218e-30   -29.657   -29.654     0.003     (0)  
   Fe(OH)3-        3.009e-32   2.580e-32   -31.522   -31.588    -0.067     (0)  
   FeHSO4+         1.684e-34   1.438e-34   -33.774   -33.842    -0.069     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -306.996  -306.993     0.003     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -449.978  -450.047    -0.069     (0)  
Fe(3)         2.684e-14
   Fe(OH)3         2.032e-14   2.045e-14   -13.692   -13.689     0.003     (0)  
   Fe(OH)4-        5.820e-15   5.004e-15   -14.235   -14.301    -0.066     (0)  
   Fe(OH)2+        7.000e-16   6.019e-16   -15.155   -15.221    -0.066     (0)  
   FeOH+2          1.238e-20   6.696e-21   -19.907   -20.174    -0.267     (0)  
   FeSO4+          1.265e-25   1.085e-25   -24.898   -24.965    -0.067     (0)  
   Fe+3            1.381e-26   4.250e-27   -25.860   -26.372    -0.512     (0)  
   Fe(SO4)2-       7.100e-27   6.063e-27   -26.149   -26.217    -0.069     (0)  
   FeCl+2          2.061e-28   1.115e-28   -27.686   -27.953    -0.267     (0)  
   FeCl2+          6.961e-31   5.970e-31   -30.157   -30.224    -0.067     (0)  
   FeHSO4+2        1.668e-33   8.871e-34   -32.778   -33.052    -0.274     (0)  
   FeCl3           6.053e-35   6.092e-35   -34.218   -34.215     0.003     (0)  
   Fe2(OH)2+4      1.860e-38   1.489e-39   -37.730   -38.827    -1.097     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -49.810   -51.524    -1.714     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.229   -45.226     0.003     28.61
K             1.253e-06
   K+              1.239e-06   1.053e-06    -5.907    -5.978    -0.071      8.95
   KSO4-           1.321e-08   1.086e-08    -7.879    -7.964    -0.085     23.05
Mg            5.391e-05
   Mg+2            3.654e-05   2.029e-05    -4.437    -4.693    -0.256    -21.27
   MgSO4           1.201e-05   1.217e-05    -4.920    -4.915     0.006     -1.74
   MgHCO3+         2.699e-06   2.299e-06    -5.569    -5.638    -0.070      5.42
   MgCO3           2.440e-06   2.456e-06    -5.613    -5.610     0.003    -17.09
   Mg(SO4)2-2      2.013e-07   1.147e-07    -6.696    -6.940    -0.244     39.53
   MgOH+           1.770e-08   1.532e-08    -7.752    -7.815    -0.063     (0)  
Na            2.326e-02
   Na+             2.299e-02   1.969e-02    -1.639    -1.706    -0.067     -1.57
   NaSO4-          2.708e-04   2.226e-04    -3.567    -3.653    -0.085     14.92
   NaOH            4.409e-18   4.438e-18   -17.356   -17.353     0.003     (0)  
Ntg           4.838e-04
   Ntg             4.838e-04   4.869e-04    -3.315    -3.313     0.003     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.693e-04    -3.573    -3.570     0.003     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -145.019  -145.091    -0.071     20.47
   H2S             0.000e+00   0.000e+00  -146.601  -146.598     0.003     34.96
   S-2             0.000e+00   0.000e+00  -149.375  -149.642    -0.267     (0)  
   (H2S)2          0.000e+00   0.000e+00  -294.535  -294.532     0.003     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -306.996  -306.993     0.003     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -449.978  -450.047    -0.069     (0)  
S(6)          5.124e-03
   SO4-2           4.829e-03   2.606e-03    -2.316    -2.584    -0.268     14.54
   NaSO4-          2.708e-04   2.226e-04    -3.567    -3.653    -0.085     14.92
   MgSO4           1.201e-05   1.217e-05    -4.920    -4.915     0.006     -1.74
   CaSO4           1.155e-05   1.162e-05    -4.938    -4.935     0.003      7.30
   Mg(SO4)2-2      2.013e-07   1.147e-07    -6.696    -6.940    -0.244     39.53
   BaSO4           6.367e-08   6.408e-08    -7.196    -7.193     0.003     (0)  
   KSO4-           1.321e-08   1.086e-08    -7.879    -7.964    -0.085     23.05
   HSO4-           8.092e-10   6.911e-10    -9.092    -9.160    -0.069     40.03
   CaHSO4+         2.535e-13   2.165e-13   -12.596   -12.664    -0.069     (0)  
   AlSO4+          1.206e-18   1.031e-18   -17.919   -17.987    -0.068     (0)  
   Al(SO4)2-       9.704e-20   8.294e-20   -19.013   -19.081    -0.068     (0)  
   FeSO4+          1.265e-25   1.085e-25   -24.898   -24.965    -0.067     (0)  
   FeSO4           7.259e-27   7.306e-27   -26.139   -26.136     0.003     24.60
   Fe(SO4)2-       7.100e-27   6.063e-27   -26.149   -26.217    -0.069     (0)  
   AlHSO4+2        5.006e-28   2.663e-28   -27.300   -27.575    -0.274     (0)  
   FeHSO4+2        1.668e-33   8.871e-34   -32.778   -33.052    -0.274     (0)  
   FeHSO4+         1.684e-34   1.438e-34   -33.774   -33.842    -0.069     (0)  
Si            1.350e-11
   H4SiO4          1.288e-11   1.297e-11   -10.890   -10.887     0.003     52.53
   H3SiO4-         6.179e-13   5.262e-13   -12.209   -12.279    -0.070     27.96
   H2SiO4-2        1.542e-17   8.432e-18   -16.812   -17.074    -0.262     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -4.45      6.68   11.13  Al(OH)3
  Albite          -24.04    -42.36  -18.33  NaAlSi3O8
  Alunite         -15.89    -16.66   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -2.94     -7.17   -4.22  CaSO4
  Anorthite       -22.50    -42.35  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -12.59    -14.54   -1.95  K2SO4
  Barite           -0.00     -9.89   -9.89  BaSO4
  Ca-Montmorillonite -30.63    -76.38  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite          -0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.70   -147.46   -2.75  CH4
  Chalcedony       -7.28    -10.89   -3.61  SiO2
  Chlorite(14A)   -27.87     42.41   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.58     15.25   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.73     -4.14   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite         -0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -5.51     -7.28   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -158.42   -162.33   -3.92  FeS
  Gibbsite         -1.72      6.68    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum           -2.58     -7.17   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -145.66   -153.61   -7.95  H2S
  Halite           -6.26     -4.70    1.57  NaCl
  Hematite          1.98     -1.64   -3.62  Fe2O3
  Hexahydrite      -5.71     -7.28   -1.57  MgSO4:6H2O
  Illite          -30.53    -71.48  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -30.34    -39.16   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -25.68    -46.64  -20.96  KAlSi3O8
  K-mica          -23.53    -10.08   13.45  KAl3Si3O10(OH)2
  Kaolinite       -16.29     -8.42    7.88  Al2Si2O5(OH)4
  Kieserite        -6.08     -7.28   -1.20  MgSO4:H2O
  Mackinawite    -157.69   -162.33   -4.65  FeS
  Melanterite     -26.08    -28.35   -2.27  FeSO4:7H2O
  Mirabilite       -4.53     -6.00   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.72     -3.57   -2.85  O2
  Pyrite         -255.22   -273.85  -18.62  FeS2
  Quartz           -6.83    -10.89   -4.06  SiO2
  Sepiolite       -23.87     -7.98   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.64     -7.98   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.77    -29.63  -10.86  FeCO3
  SiO2(a)          -8.13    -10.89   -2.75  SiO2
  Sulfur         -109.50   -104.50    5.00  S
  Sylvite          -9.84     -8.97    0.87  KCl
  Talc            -28.50     -6.52   21.98  Mg3Si4O10(OH)2
  Thenardite       -5.72     -6.00   -0.28  Na2SO4
  Witherite        -2.60    -11.17   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.302 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         8
Grid cell(s) (0-based): 8 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      8
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 8.	Solution after simulation 1.
Using exchange 8.	Exchange assemblage after simulation 1.
Using surface 8.	
Using pure phase assemblage 8.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 8.	Solid solution assemblage after simulation 1
Using gas phase 8.	Gas phase after simulation 1.
Using kinetics 8.	

Kinetics 8.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.668e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.7569e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.73   1.870e-03  0.997   1.850e-05   1.555e-05  -2.945e-06
Ntg(g)            -0.17   6.786e-01  1.000   5.643e-03   5.644e-03   2.133e-07

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.278e-01   2.280e-01   1.732e-04
Dolomite          0.00   -17.00    -17.00    1.853e-01   1.850e-01  -2.990e-04
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   4.163e-17

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     1.98e-04
                              Anhydrite     3.10e-06    -3.60e-05     1.56e-02
                                 Barite     1.95e-04    -4.35e-06     9.84e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	 -3.099e-07  Surface charge, eq
	 -4.985e-04  sigma, C/m²
	 -7.804e-04  psi, V
	  3.089e-02  -F*psi/RT
	  1.031e+00  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       8.882e-04       0.888   4.453e-03      -2.351
	Hfo_sOH           8.515e-05       0.085   4.269e-04      -3.370
	Hfo_sO-           1.583e-05       0.016   7.939e-05      -4.100
	Hfo_sOH2+         1.049e-05       0.010   5.259e-05      -4.279
	Hfo_sOHBa+2       3.705e-07       0.000   1.858e-06      -5.731
	Hfo_sOFe+         1.132e-22       0.000   5.675e-22     -21.246

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           3.332e-03       0.333   1.671e-02      -1.777
	Hfo_wCO3-         2.445e-03       0.245   1.226e-02      -1.911
	Hfo_wHCO3         1.774e-03       0.177   8.894e-03      -2.051
	Hfo_wOMg+         1.153e-03       0.115   5.781e-03      -2.238
	Hfo_wO-           6.197e-04       0.062   3.107e-03      -2.508
	Hfo_wOH2+         4.105e-04       0.041   2.058e-03      -2.686
	Hfo_wOHSO4-2      1.716e-04       0.017   8.604e-04      -3.065
	Hfo_wOCa+         8.327e-05       0.008   4.175e-04      -3.379
	Hfo_wSO4-         1.061e-05       0.001   5.320e-05      -4.274
	Hfo_wH2SiO4-      4.454e-09       0.000   2.233e-08      -7.651
	Hfo_wHSiO4-2      2.389e-09       0.000   1.198e-08      -7.922
	Hfo_wH3SiO4       8.898e-10       0.000   4.462e-09      -8.351
	Hfo_wOBa+         5.021e-10       0.000   2.518e-09      -8.599
	Hfo_wOFe+         4.134e-23       0.000   2.073e-22     -21.683
	Hfo_wOFeOH        1.758e-23       0.000   8.817e-23     -22.055

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.313e-01   1.313e-01   6.565e-01    -0.095
	CaX2              2.328e-02   4.656e-02   2.328e-01    -0.370
	MgX2              1.105e-02   2.211e-02   1.105e-01    -0.356
	KX                3.647e-05   3.647e-05   1.823e-04    -0.104
	BaX2              4.381e-06   8.761e-06   4.381e-05    -0.397
	AlOHX2            2.530e-13   5.061e-13   2.530e-12     0.097
	AlX3              3.685e-15   1.105e-14   5.527e-14    -0.690
	FeX2              6.988e-24   1.398e-23   6.988e-23    -0.360

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.263e-08   2.519e-09
	Ba                9.836e-08   1.962e-08
	C                 6.301e-03   1.257e-03
	Ca                4.164e-04   8.306e-05
	Cl                1.200e-03   2.393e-04
	Fe                2.466e-14   4.918e-15
	K                 2.924e-06   5.832e-07
	Mg                3.674e-04   7.327e-05
	Na                5.458e-02   1.089e-02
	Ntg               4.786e-04   9.545e-05
	S                 2.417e-02   4.820e-03
	Si                1.411e-11   2.814e-12

----------------------------Description of solution----------------------------

                                       pH  =   8.213      Charge balance
                                       pe  =  12.837      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 4790
                         Density (g/cm³)  =   1.00176
                               Volume (L)  =   0.19990
                        Viscosity (mPa s)  =   1.02004
                        Activity of water  =   0.999
                 Ionic strength (mol/kgw)  =   7.521e-02
                       Mass of water (kg)  =   1.994e-01
                 Total alkalinity (eq/kg)  =   6.319e-03
                       Total CO2 (mol/kg)  =   6.301e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =   5.822e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.27
                               Iterations  =  21
                                  Total H  = 2.214181e+01
                                  Total O  = 1.109344e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             1.423e-06   1.116e-06    -5.847    -5.952    -0.106     -4.03
   H+              7.309e-09   6.126e-09    -8.136    -8.213    -0.077      0.00
   H2O             5.551e+01   9.986e-01     1.744    -0.001     0.000     18.05
Al            1.263e-08
   Al(OH)4-        1.260e-08   1.003e-08    -7.900    -7.999    -0.099     (0)  
   Al(OH)3         3.411e-11   3.471e-11   -10.467   -10.460     0.008     (0)  
   Al(OH)2+        2.621e-12   2.114e-12   -11.581   -11.675    -0.093     (0)  
   AlOH+2          6.132e-15   2.594e-15   -14.212   -14.586    -0.374    -27.02
   AlSO4+          7.350e-17   5.855e-17   -16.134   -16.233    -0.099     (0)  
   Al(SO4)2-       2.017e-17   1.606e-17   -16.695   -16.794    -0.099     (0)  
   Al+3            1.091e-17   2.226e-18   -16.962   -17.652    -0.690    -40.92
   AlHSO4+2        7.489e-26   3.053e-26   -25.126   -25.515    -0.390     (0)  
Ba            9.836e-08
   BaSO4           6.207e-08   6.316e-08    -7.207    -7.200     0.008     (0)  
   Ba+2            3.535e-08   1.418e-08    -7.452    -7.848    -0.397    -12.41
   BaHCO3+         7.185e-10   5.741e-10    -9.144    -9.241    -0.097     (0)  
   BaCO3           2.213e-10   2.252e-10    -9.655    -9.647     0.008    -10.75
   BaOH+           9.766e-14   7.834e-14   -13.010   -13.106    -0.096     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.468  -147.461     0.008     35.01
C(4)          6.301e-03
   HCO3-           6.128e-03   4.942e-03    -2.213    -2.306    -0.093     24.52
   CO3-2           8.030e-05   3.398e-05    -4.095    -4.469    -0.374     -3.60
   CO2             7.179e-05   7.304e-05    -4.144    -4.136     0.008     34.19
   CaHCO3+         7.489e-06   6.086e-06    -5.126    -5.216    -0.090      9.61
   MgHCO3+         5.867e-06   4.639e-06    -5.232    -5.334    -0.102      5.48
   CaCO3           5.382e-06   5.476e-06    -5.269    -5.262     0.008    -14.62
   MgCO3           2.414e-06   2.456e-06    -5.617    -5.610     0.008    -17.09
   BaHCO3+         7.185e-10   5.741e-10    -9.144    -9.241    -0.097     (0)  
   BaCO3           2.213e-10   2.252e-10    -9.655    -9.647     0.008    -10.75
   (CO2)2          8.121e-11   8.263e-11   -10.090   -10.083     0.008     68.37
   FeCO3           5.636e-26   5.735e-26   -25.249   -25.241     0.008     (0)  
   FeHCO3+         4.352e-26   3.477e-26   -25.361   -25.459    -0.097     (0)  
Ca            4.164e-04
   Ca+2            2.465e-04   1.051e-04    -3.608    -3.979    -0.370    -17.61
   CaSO4           1.570e-04   1.598e-04    -3.804    -3.796     0.008      7.30
   CaHCO3+         7.489e-06   6.086e-06    -5.126    -5.216    -0.090      9.61
   CaCO3           5.382e-06   5.476e-06    -5.269    -5.262     0.008    -14.62
   CaOH+           3.557e-09   2.842e-09    -8.449    -8.546    -0.097     (0)  
   CaHSO4+         7.518e-12   6.007e-12   -11.124   -11.221    -0.097     (0)  
Cl            1.200e-03
   Cl-             1.200e-03   9.458e-04    -2.921    -3.024    -0.103     18.12
   HCl             1.912e-12   2.059e-12   -11.718   -11.686     0.032     (0)  
   FeCl+2          2.053e-27   8.503e-28   -26.688   -27.070    -0.383     (0)  
   FeCl+           1.150e-28   9.186e-29   -27.939   -28.037    -0.097     (0)  
   FeCl2+          5.261e-30   4.221e-30   -29.279   -29.375    -0.096     (0)  
   FeCl3           3.923e-34   3.992e-34   -33.406   -33.399     0.008     (0)  
Fe(2)         3.640e-25
   Fe+2            1.614e-25   7.036e-26   -24.792   -25.153    -0.360    -21.89
   FeSO4           9.955e-26   1.013e-25   -25.002   -24.994     0.008     24.60
   FeCO3           5.636e-26   5.735e-26   -25.249   -25.241     0.008     (0)  
   FeHCO3+         4.352e-26   3.477e-26   -25.361   -25.459    -0.097     (0)  
   FeOH+           3.092e-27   2.480e-27   -26.510   -26.605    -0.096     (0)  
   FeCl+           1.150e-28   9.186e-29   -27.939   -28.037    -0.097     (0)  
   Fe(OH)2         2.173e-30   2.211e-30   -29.663   -29.655     0.008     (0)  
   Fe(OH)3-        1.588e-32   1.274e-32   -31.799   -31.895    -0.096     (0)  
   FeHSO4+         5.034e-33   4.022e-33   -32.298   -32.396    -0.097     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -304.735  -304.727     0.008     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -446.855  -446.952    -0.097     (0)  
Fe(3)         2.466e-14
   Fe(OH)3         2.008e-14   2.043e-14   -13.697   -13.690     0.008     (0)  
   Fe(OH)4-        3.070e-15   2.476e-15   -14.513   -14.606    -0.093     (0)  
   Fe(OH)2+        1.506e-15   1.215e-15   -14.822   -14.916    -0.093     (0)  
   FeOH+2          6.588e-20   2.729e-20   -19.181   -19.564    -0.383     (0)  
   FeSO4+          3.795e-24   3.044e-24   -23.421   -23.516    -0.096     (0)  
   Fe(SO4)2-       7.260e-25   5.801e-25   -24.139   -24.237    -0.097     (0)  
   Fe+3            1.714e-25   3.498e-26   -24.766   -25.456    -0.690     (0)  
   FeCl+2          2.053e-27   8.503e-28   -26.688   -27.070    -0.383     (0)  
   FeCl2+          5.261e-30   4.221e-30   -29.279   -29.375    -0.096     (0)  
   FeHSO4+2        1.232e-31   5.023e-32   -30.909   -31.299    -0.390     (0)  
   FeCl3           3.923e-34   3.992e-34   -33.406   -33.399     0.008     (0)  
   Fe2(OH)2+4      8.958e-37   2.473e-38   -36.048   -37.607    -1.559     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -47.563   -49.999    -2.436     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.236   -45.229     0.008     28.61
K             2.924e-06
   K+              2.817e-06   2.215e-06    -5.550    -5.655    -0.104      9.03
   KSO4-           1.071e-07   7.793e-08    -6.970    -7.108    -0.138     25.27
Mg            3.674e-04
   Mg+2            1.858e-04   8.181e-05    -3.731    -4.087    -0.356    -21.05
   MgSO4           1.616e-04   1.673e-04    -3.792    -3.777     0.015     -1.74
   Mg(SO4)2-2      1.169e-05   5.378e-06    -4.932    -5.269    -0.337     41.50
   MgHCO3+         5.867e-06   4.639e-06    -5.232    -5.334    -0.102      5.48
   MgCO3           2.414e-06   2.456e-06    -5.617    -5.610     0.008    -17.09
   MgOH+           3.742e-08   3.059e-08    -7.427    -7.514    -0.088     (0)  
Na            5.458e-02
   Na+             5.235e-02   4.203e-02    -1.281    -1.376    -0.095     -1.42
   NaSO4-          2.229e-03   1.620e-03    -2.652    -2.791    -0.139     15.63
   NaOH            4.610e-18   4.690e-18   -17.336   -17.329     0.008     (0)  
Ntg           4.786e-04
   Ntg             4.786e-04   4.869e-04    -3.320    -3.313     0.008     29.29
O(0)          5.350e-04
   O2              2.675e-04   2.722e-04    -3.573    -3.565     0.008     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -144.157  -144.262    -0.106     20.57
   H2S             0.000e+00   0.000e+00  -145.473  -145.465     0.008     34.96
   S-2             0.000e+00   0.000e+00  -148.736  -149.119    -0.383     (0)  
   (H2S)2          0.000e+00   0.000e+00  -292.273  -292.265     0.008     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -304.735  -304.727     0.008     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -446.855  -446.952    -0.097     (0)  
S(6)          2.417e-02
   SO4-2           2.160e-02   8.884e-03    -1.666    -2.051    -0.386     14.92
   NaSO4-          2.229e-03   1.620e-03    -2.652    -2.791    -0.139     15.63
   MgSO4           1.616e-04   1.673e-04    -3.792    -3.777     0.015     -1.74
   CaSO4           1.570e-04   1.598e-04    -3.804    -3.796     0.008      7.30
   Mg(SO4)2-2      1.169e-05   5.378e-06    -4.932    -5.269    -0.337     41.50
   KSO4-           1.071e-07   7.793e-08    -6.970    -7.108    -0.138     25.27
   BaSO4           6.207e-08   6.316e-08    -7.207    -7.200     0.008     (0)  
   HSO4-           5.951e-09   4.755e-09    -8.225    -8.323    -0.097     40.12
   CaHSO4+         7.518e-12   6.007e-12   -11.124   -11.221    -0.097     (0)  
   AlSO4+          7.350e-17   5.855e-17   -16.134   -16.233    -0.099     (0)  
   Al(SO4)2-       2.017e-17   1.606e-17   -16.695   -16.794    -0.099     (0)  
   FeSO4+          3.795e-24   3.044e-24   -23.421   -23.516    -0.096     (0)  
   Fe(SO4)2-       7.260e-25   5.801e-25   -24.139   -24.237    -0.097     (0)  
   FeSO4           9.955e-26   1.013e-25   -25.002   -24.994     0.008     24.60
   AlHSO4+2        7.489e-26   3.053e-26   -25.126   -25.515    -0.390     (0)  
   FeHSO4+2        1.232e-31   5.023e-32   -30.909   -31.299    -0.390     (0)  
   FeHSO4+         5.034e-33   4.022e-33   -32.298   -32.396    -0.097     (0)  
Si            1.411e-11
   H4SiO4          1.375e-11   1.399e-11   -10.862   -10.854     0.008     52.53
   H3SiO4-         3.559e-13   2.814e-13   -12.449   -12.551    -0.102     28.05
   H2SiO4-2        5.281e-18   2.234e-18   -17.277   -17.651    -0.374     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -4.15      6.98   11.13  Al(OH)3
  Albite          -23.61    -41.93  -18.33  NaAlSi3O8
  Alunite         -12.67    -13.44   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -1.81     -6.03   -4.22  CaSO4
  Anorthite       -21.82    -41.68  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -11.41    -13.36   -1.95  K2SO4
  Barite           -0.01     -9.90   -9.89  BaSO4
  Ca-Montmorillonite -29.79    -75.55  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.71   -147.46   -2.75  CH4
  Chalcedony       -7.24    -10.85   -3.61  SiO2
  Chlorite(14A)   -27.18     43.10   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.52     15.31   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.73     -4.14   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -4.37     -6.14   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -157.29   -161.20   -3.92  FeS
  Gibbsite         -1.41      6.98    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum           -1.45     -6.03   -4.58  CaSO4:2H2O
  H2(g)           -42.14    -45.23   -3.09  H2
  H2O(g)           -1.63     -0.00    1.63  H2O
  H2S(g)         -144.53   -152.48   -7.95  H2S
  Halite           -5.97     -4.40    1.57  NaCl
  Hematite          1.99     -1.64   -3.62  Fe2O3
  Hexahydrite      -4.57     -6.14   -1.57  MgSO4:6H2O
  Illite          -29.70    -70.65  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -28.03    -36.85   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -25.25    -46.21  -20.96  KAlSi3O8
  K-mica          -22.49     -9.05   13.45  KAl3Si3O10(OH)2
  Kaolinite       -15.61     -7.74    7.88  Al2Si2O5(OH)4
  Kieserite        -4.94     -6.14   -1.20  MgSO4:H2O
  Mackinawite    -156.55   -161.20   -4.65  FeS
  Melanterite     -24.94    -27.21   -2.27  FeSO4:7H2O
  Mirabilite       -3.35     -4.81   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.71     -3.57   -2.85  O2
  Pyrite         -252.96   -271.58  -18.62  FeS2
  Quartz           -6.80    -10.85   -4.06  SiO2
  Sepiolite       -23.78     -7.88   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -26.54     -7.88   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.76    -29.62  -10.86  FeCO3
  SiO2(a)          -8.10    -10.85   -2.75  SiO2
  Sulfur         -108.37   -103.36    5.00  S
  Sylvite          -9.55     -8.68    0.87  KCl
  Talc            -28.38     -6.40   21.98  Mg3Si4O10(OH)2
  Thenardite       -4.53     -4.80   -0.28  Na2SO4
  Witherite        -3.74    -12.32   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.324 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         9
Grid cell(s) (0-based): 9 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      9
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 9.	Solution after simulation 1.
Using exchange 9.	Exchange assemblage after simulation 1.
Using surface 9.	
Using pure phase assemblage 9.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 9.	Solid solution assemblage after simulation 1
Using gas phase 9.	Gas phase after simulation 1.
Using kinetics 9.	

Kinetics 9.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.538e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.6929e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.64   2.265e-03  0.997   2.325e-05   1.884e-05  -4.413e-06
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   2.993e-07

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.278e-01   5.673e-04
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.853e-01  -5.129e-04
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01  -4.163e-17

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     2.46e-04
                              Anhydrite     4.65e-05    -5.77e-04     1.89e-01
                                 Barite     2.00e-04    -3.15e-07     8.11e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  8.304e-06  Surface charge, eq
	  1.335e-02  sigma, C/m²
	  1.198e-02  psi, V
	 -4.744e-01  -F*psi/RT
	  6.223e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.428e-04       0.943   4.726e-03      -2.326
	Hfo_sOH           4.355e-05       0.044   2.183e-04      -3.661
	Hfo_sOH2+         8.496e-06       0.008   4.258e-05      -4.371
	Hfo_sO-           5.115e-06       0.005   2.564e-05      -4.591
	Hfo_sOHBa+2       2.681e-08       0.000   1.344e-07      -6.872
	Hfo_sOFe+         9.126e-23       0.000   4.574e-22     -21.340

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.999e-03       0.300   1.503e-02      -1.823
	Hfo_wHCO3         1.934e-03       0.193   9.693e-03      -2.014
	Hfo_wCO3-         1.684e-03       0.168   8.439e-03      -2.074
	Hfo_wOMg+         1.360e-03       0.136   6.816e-03      -2.166
	Hfo_wOHSO4-2      8.999e-04       0.090   4.510e-03      -2.346
	Hfo_wOH2+         5.850e-04       0.059   2.932e-03      -2.533
	Hfo_wO-           3.522e-04       0.035   1.765e-03      -2.753
	Hfo_wOCa+         9.822e-05       0.010   4.923e-04      -3.308
	Hfo_wSO4-         8.834e-05       0.009   4.428e-04      -3.354
	Hfo_wH2SiO4-      4.654e-09       0.000   2.333e-08      -7.632
	Hfo_wHSiO4-2      1.576e-09       0.000   7.902e-09      -8.102
	Hfo_wH3SiO4       1.472e-09       0.000   7.380e-09      -8.132
	Hfo_wOBa+         4.036e-11       0.000   2.023e-10      -9.694
	Hfo_wOFe+         5.864e-23       0.000   2.939e-22     -21.532
	Hfo_wOFeOH        1.571e-23       0.000   7.876e-23     -22.104

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.328e-01   1.328e-01   6.640e-01    -0.128
	CaX2              2.304e-02   4.609e-02   2.304e-01    -0.503
	MgX2              1.054e-02   2.108e-02   1.054e-01    -0.472
	KX                3.655e-05   3.655e-05   1.827e-04    -0.152
	BaX2              3.154e-07   6.308e-07   3.154e-06    -0.557
	AlOHX2            5.083e-13   1.017e-12   5.083e-12     0.129
	AlX3              1.213e-14   3.640e-14   1.820e-13    -0.900
	FeX2              8.390e-24   1.678e-23   8.390e-23    -0.496

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.581e-09
	Ba                6.945e-08   1.386e-08
	C                 3.221e-03   6.427e-04
	Ca                3.767e-03   7.515e-04
	Cl                1.199e-03   2.393e-04
	Fe                2.492e-14   4.972e-15
	K                 8.606e-06   1.717e-06
	Mg                3.615e-03   7.211e-04
	Na                1.636e-01   3.264e-02
	Ntg               4.624e-04   9.224e-05
	S                 8.673e-02   1.730e-02
	Si                2.464e-11   4.916e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.794      Charge balance
                                       pe  =  13.261      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 12979
                         Density (g/cm³)  =   1.00952
                               Volume (L)  =   0.20011
                        Viscosity (mPa s)  =   1.04716
                        Activity of water  =   0.996
                 Ionic strength (mol/kgw)  =   2.247e-01
                       Mass of water (kg)  =   1.995e-01
                 Total alkalinity (eq/kg)  =   3.165e-03
                       Total CO2 (mol/kg)  =   3.221e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =   1.098e-04
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.18
                               Iterations  =  22
                                  Total H  = 2.214810e+01
                                  Total O  = 1.114497e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             6.063e-07   4.240e-07    -6.217    -6.373    -0.155     -3.69
   H+              2.024e-08   1.608e-08    -7.694    -7.794    -0.100      0.00
   H2O             5.551e+01   9.959e-01     1.744    -0.002     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.284e-08   9.279e-09    -7.891    -8.033    -0.141     (0)  
   Al(OH)3         8.020e-11   8.446e-11   -10.096   -10.073     0.022     (0)  
   Al(OH)2+        1.828e-11   1.354e-11   -10.738   -10.868    -0.130     (0)  
   AlOH+2          1.453e-13   4.372e-14   -12.838   -13.359    -0.522    -26.76
   AlSO4+          7.621e-15   5.507e-15   -14.118   -14.259    -0.141     (0)  
   Al(SO4)2-       4.435e-15   3.205e-15   -14.353   -14.494    -0.141     (0)  
   Al+3            7.837e-16   9.871e-17   -15.106   -16.006    -0.900    -40.50
   AlHSO4+2        2.462e-23   7.535e-24   -22.609   -23.123    -0.514     (0)  
Ba            6.945e-08
   BaSO4           4.942e-08   5.205e-08    -7.306    -7.284     0.022     (0)  
   Ba+2            1.988e-08   5.511e-09    -7.702    -8.259    -0.557    -12.00
   BaHCO3+         1.381e-10   1.027e-10    -9.860    -9.988    -0.129     (0)  
   BaCO3           1.457e-11   1.535e-11   -10.836   -10.814     0.022    -10.75
   BaOH+           1.578e-14   1.157e-14   -13.802   -13.937    -0.135     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.432  -147.410     0.022     35.01
C(4)          3.221e-03
   HCO3-           3.072e-03   2.275e-03    -2.513    -2.643    -0.130     25.09
   CO2             8.403e-05   8.849e-05    -4.076    -4.053     0.022     34.19
   CaHCO3+         2.125e-05   1.597e-05    -4.673    -4.797    -0.124      9.67
   CO3-2           1.980e-05   5.960e-06    -4.703    -5.225    -0.522     -2.70
   MgHCO3+         1.711e-05   1.217e-05    -4.767    -4.915    -0.148      5.56
   CaCO3           5.200e-06   5.476e-06    -5.284    -5.262     0.022    -14.62
   MgCO3           2.333e-06   2.456e-06    -5.632    -5.610     0.022    -17.09
   BaHCO3+         1.381e-10   1.027e-10    -9.860    -9.988    -0.129     (0)  
   (CO2)2          1.151e-10   1.213e-10    -9.939    -9.916     0.022     68.37
   BaCO3           1.457e-11   1.535e-11   -10.836   -10.814     0.022    -10.75
   FeHCO3+         1.476e-25   1.098e-25   -24.831   -24.960    -0.129     (0)  
   FeCO3           6.550e-26   6.898e-26   -25.184   -25.161     0.022     (0)  
Ca            3.767e-03
   Ca+2            1.906e-03   5.990e-04    -2.720    -3.223    -0.503    -17.28
   CaSO4           1.835e-03   1.932e-03    -2.736    -2.714     0.022      7.30
   CaHCO3+         2.125e-05   1.597e-05    -4.673    -4.797    -0.124      9.67
   CaCO3           5.200e-06   5.476e-06    -5.284    -5.262     0.022    -14.62
   CaOH+           8.279e-09   6.158e-09    -8.082    -8.211    -0.129     (0)  
   CaHSO4+         2.563e-10   1.906e-10    -9.591    -9.720    -0.129     (0)  
Cl            1.199e-03
   Cl-             1.199e-03   8.501e-04    -2.921    -3.071    -0.149     18.30
   HCl             3.897e-12   4.857e-12   -11.409   -11.314     0.096     (0)  
   FeCl+2          4.813e-26   1.389e-26   -25.318   -25.857    -0.540     (0)  
   FeCl+           7.612e-28   5.662e-28   -27.119   -27.247    -0.129     (0)  
   FeCl2+          8.455e-29   6.197e-29   -28.073   -28.208    -0.135     (0)  
   FeCl3           5.003e-33   5.268e-33   -32.301   -32.278     0.022     (0)  
Fe(2)         3.134e-24
   Fe+2            1.513e-24   4.825e-25   -23.820   -24.317    -0.496    -21.56
   FeSO4           1.399e-24   1.473e-24   -23.854   -23.832     0.022     24.60
   FeHCO3+         1.476e-25   1.098e-25   -24.831   -24.960    -0.129     (0)  
   FeCO3           6.550e-26   6.898e-26   -25.184   -25.161     0.022     (0)  
   FeOH+           8.818e-27   6.463e-27   -26.055   -26.190    -0.135     (0)  
   FeCl+           7.612e-28   5.662e-28   -27.119   -27.247    -0.129     (0)  
   Fe(OH)2         2.079e-30   2.189e-30   -29.682   -29.660     0.022     (0)  
   FeHSO4+         2.064e-31   1.535e-31   -30.685   -30.814    -0.129     (0)  
   Fe(OH)3-        6.540e-33   4.794e-33   -32.184   -32.319    -0.135     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -302.482  -302.459     0.022     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -443.840  -443.968    -0.129     (0)  
Fe(3)         2.492e-14
   Fe(OH)3         1.935e-14   2.038e-14   -13.713   -13.691     0.022     (0)  
   Fe(OH)2+        4.303e-15   3.187e-15   -14.366   -14.497    -0.130     (0)  
   Fe(OH)4-        1.267e-15   9.385e-16   -14.897   -15.028    -0.130     (0)  
   FeOH+2          6.530e-19   1.885e-19   -18.185   -18.725    -0.540     (0)  
   FeSO4+          1.601e-22   1.174e-22   -21.796   -21.931    -0.135     (0)  
   Fe(SO4)2-       6.376e-23   4.743e-23   -22.195   -22.324    -0.129     (0)  
   Fe+3            5.046e-24   6.357e-25   -23.297   -24.197    -0.900     (0)  
   FeCl+2          4.813e-26   1.389e-26   -25.318   -25.857    -0.540     (0)  
   FeCl2+          8.455e-29   6.197e-29   -28.073   -28.208    -0.135     (0)  
   FeHSO4+2        1.660e-29   5.081e-30   -28.780   -29.294    -0.514     (0)  
   FeCl3           5.003e-33   5.268e-33   -32.301   -32.278     0.022     (0)  
   Fe2(OH)2+4      1.344e-34   1.179e-36   -33.872   -35.928    -2.057     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -44.687   -47.901    -3.214     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.260   -45.237     0.022     28.61
K             8.606e-06
   K+              7.889e-06   5.560e-06    -5.103    -5.255    -0.152      9.19
   KSO4-           7.175e-07   4.149e-07    -6.144    -6.382    -0.238     28.28
Mg            3.615e-03
   MgSO4           1.824e-03   2.023e-03    -2.739    -2.694     0.045     -1.74
   Mg+2            1.383e-03   4.664e-04    -2.859    -3.331    -0.472    -20.73
   Mg(SO4)2-2      3.877e-04   1.379e-04    -3.412    -3.860    -0.449     44.10
   MgHCO3+         1.711e-05   1.217e-05    -4.767    -4.915    -0.148      5.56
   MgCO3           2.333e-06   2.456e-06    -5.632    -5.610     0.022    -17.09
   MgOH+           8.722e-08   6.627e-08    -7.059    -7.179    -0.119     (0)  
Na            1.636e-01
   Na+             1.480e-01   1.101e-01    -0.830    -0.958    -0.128     -1.17
   NaSO4-          1.563e-02   9.000e-03    -1.806    -2.046    -0.240     17.19
   NaOH            4.434e-18   4.669e-18   -17.353   -17.331     0.022     (0)  
Ntg           4.624e-04
   Ntg             4.624e-04   4.869e-04    -3.335    -3.313     0.022     29.29
O(0)          5.348e-04
   O2              2.674e-04   2.816e-04    -3.573    -3.550     0.022     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -143.391  -143.546    -0.155     20.75
   H2S             0.000e+00   0.000e+00  -144.353  -144.330     0.022     34.96
   S-2             0.000e+00   0.000e+00  -148.282  -148.822    -0.540     (0)  
   (H2S)2          0.000e+00   0.000e+00  -290.018  -289.995     0.022     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -302.482  -302.459     0.022     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -443.840  -443.968    -0.129     (0)  
S(6)          8.673e-02
   SO4-2           6.666e-02   1.884e-02    -1.176    -1.725    -0.549     15.64
   NaSO4-          1.563e-02   9.000e-03    -1.806    -2.046    -0.240     17.19
   CaSO4           1.835e-03   1.932e-03    -2.736    -2.714     0.022      7.30
   MgSO4           1.824e-03   2.023e-03    -2.739    -2.694     0.045     -1.74
   Mg(SO4)2-2      3.877e-04   1.379e-04    -3.412    -3.860    -0.449     44.10
   KSO4-           7.175e-07   4.149e-07    -6.144    -6.382    -0.238     28.28
   BaSO4           4.942e-08   5.205e-08    -7.306    -7.284     0.022     (0)  
   HSO4-           3.559e-08   2.647e-08    -7.449    -7.577    -0.129     40.29
   CaHSO4+         2.563e-10   1.906e-10    -9.591    -9.720    -0.129     (0)  
   AlSO4+          7.621e-15   5.507e-15   -14.118   -14.259    -0.141     (0)  
   Al(SO4)2-       4.435e-15   3.205e-15   -14.353   -14.494    -0.141     (0)  
   FeSO4+          1.601e-22   1.174e-22   -21.796   -21.931    -0.135     (0)  
   Fe(SO4)2-       6.376e-23   4.743e-23   -22.195   -22.324    -0.129     (0)  
   AlHSO4+2        2.462e-23   7.535e-24   -22.609   -23.123    -0.514     (0)  
   FeSO4           1.399e-24   1.473e-24   -23.854   -23.832     0.022     24.60
   FeHSO4+2        1.660e-29   5.081e-30   -28.780   -29.294    -0.514     (0)  
   FeHSO4+         2.064e-31   1.535e-31   -30.685   -30.814    -0.129     (0)  
Si            2.464e-11
   H4SiO4          2.437e-11   2.566e-11   -10.613   -10.591     0.022     52.53
   H3SiO4-         2.764e-13   1.966e-13   -12.558   -12.706    -0.148     28.23
   H2SiO4-2        1.977e-18   5.949e-19   -17.704   -18.226    -0.522     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.76      7.37   11.13  Al(OH)3
  Albite          -22.42    -40.75  -18.33  NaAlSi3O8
  Alunite          -9.20     -9.97   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.72     -4.95   -4.22  CaSO4
  Anorthite       -20.60    -40.45  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite        -10.29    -12.23   -1.95  K2SO4
  Barite           -0.09     -9.98   -9.89  BaSO4
  Ca-Montmorillonite -27.92    -73.68  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.66   -147.41   -2.75  CH4
  Chalcedony       -6.98    -10.59   -3.61  SiO2
  Chlorite(14A)   -26.02     44.25   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -17.25     15.59   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.65     -4.05   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -3.30     -5.07   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -156.15   -160.07   -3.92  FeS
  Gibbsite         -1.02      7.37    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum           -0.37     -4.95   -4.58  CaSO4:2H2O
  H2(g)           -42.15    -45.24   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -143.39   -151.34   -7.95  H2S
  Halite           -5.59     -4.03    1.57  NaCl
  Hematite          1.99     -1.64   -3.62  Fe2O3
  Hexahydrite      -3.49     -5.07   -1.57  MgSO4:6H2O
  Illite          -27.91    -68.86  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -25.72    -34.54   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -24.09    -45.05  -20.96  KAlSi3O8
  K-mica          -20.55     -7.11   13.45  KAl3Si3O10(OH)2
  Kaolinite       -14.31     -6.43    7.88  Al2Si2O5(OH)4
  Kieserite        -3.86     -5.06   -1.20  MgSO4:H2O
  Mackinawite    -155.42   -160.07   -4.65  FeS
  Melanterite     -23.78    -26.05   -2.27  FeSO4:7H2O
  Mirabilite       -2.19     -3.66   -1.46  Na2SO4:10H2O
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.70     -3.55   -2.85  O2
  Pyrite         -250.68   -269.30  -18.62  FeS2
  Quartz           -6.53    -10.59   -4.06  SiO2
  Sepiolite       -23.15     -7.26   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.92     -7.26   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.68    -29.54  -10.86  FeCO3
  SiO2(a)          -7.83    -10.59   -2.75  SiO2
  Sulfur         -107.22   -102.22    5.00  S
  Sylvite          -9.20     -8.33    0.87  KCl
  Talc            -27.57     -5.59   21.98  Mg3Si4O10(OH)2
  Thenardite       -3.36     -3.64   -0.28  Na2SO4
  Witherite        -4.91    -13.48   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.349 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         10
Grid cell(s) (0-based): 10 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      10
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 10.	Solution after simulation 1.
Using exchange 10.	Exchange assemblage after simulation 1.
Using surface 10.	
Using pure phase assemblage 10.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 10.	Solid solution assemblage after simulation 1
Using gas phase 10.	Gas phase after simulation 1.
Using kinetics 10.	

Kinetics 10.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.376 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         11
Grid cell(s) (0-based): 11 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      11
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 11.	Solution after simulation 1.
Using exchange 11.	Exchange assemblage after simulation 1.
Using surface 11.	
Using pure phase assemblage 11.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 11.	Solid solution assemblage after simulation 1
Using gas phase 11.	Gas phase after simulation 1.
Using kinetics 11.	

Kinetics 11.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.398 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         12
Grid cell(s) (0-based): 12 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      12
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 12.	Solution after simulation 1.
Using exchange 12.	Exchange assemblage after simulation 1.
Using surface 12.	
Using pure phase assemblage 12.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 12.	Solid solution assemblage after simulation 1
Using gas phase 12.	Gas phase after simulation 1.
Using kinetics 12.	

Kinetics 12.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.426 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         13
Grid cell(s) (0-based): 13 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      13
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 13.	Solution after simulation 1.
Using exchange 13.	Exchange assemblage after simulation 1.
Using surface 13.	
Using pure phase assemblage 13.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 13.	Solid solution assemblage after simulation 1
Using gas phase 13.	Gas phase after simulation 1.
Using kinetics 13.	

Kinetics 13.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.449 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         14
Grid cell(s) (0-based): 14 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      14
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 14.	Solution after simulation 1.
Using exchange 14.	Exchange assemblage after simulation 1.
Using surface 14.	
Using pure phase assemblage 14.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 14.	Solid solution assemblage after simulation 1
Using gas phase 14.	Gas phase after simulation 1.
Using kinetics 14.	

Kinetics 14.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.158 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         15
Grid cell(s) (0-based): 15 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      15
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 15.	Solution after simulation 1.
Using exchange 15.	Exchange assemblage after simulation 1.
Using surface 15.	
Using pure phase assemblage 15.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 15.	Solid solution assemblage after simulation 1
Using gas phase 15.	Gas phase after simulation 1.
Using kinetics 15.	

Kinetics 15.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.184 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         16
Grid cell(s) (0-based): 16 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      16
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 16.	Solution after simulation 1.
Using exchange 16.	Exchange assemblage after simulation 1.
Using surface 16.	
Using pure phase assemblage 16.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 16.	Solid solution assemblage after simulation 1
Using gas phase 16.	Gas phase after simulation 1.
Using kinetics 16.	

Kinetics 16.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite         -0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite         -0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.219 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         17
Grid cell(s) (0-based): 17 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      17
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 17.	Solution after simulation 1.
Using exchange 17.	Exchange assemblage after simulation 1.
Using surface 17.	
Using pure phase assemblage 17.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 17.	Solid solution assemblage after simulation 1
Using gas phase 17.	Gas phase after simulation 1.
Using kinetics 17.	

Kinetics 17.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.247 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         18
Grid cell(s) (0-based): 18 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      18
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 18.	Solution after simulation 1.
Using exchange 18.	Exchange assemblage after simulation 1.
Using surface 18.	
Using pure phase assemblage 18.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 18.	Solid solution assemblage after simulation 1
Using gas phase 18.	Gas phase after simulation 1.
Using kinetics 18.	

Kinetics 18.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.271 Seconds.
-------------------------------

Time:                   10
Chemistry cell:         19
Grid cell(s) (0-based): 19 
------------------------------------
Reading input data for simulation 1.
------------------------------------

	RUN_CELLS
	  -start_time 777600
	  -time_step  86400
	  -cells      19
	END
--------------------------
Beginning of run as cells.
--------------------------

-----------------------------------------
Beginning of batch-reaction calculations.
-----------------------------------------

Reaction step 1.

Using solution 19.	Solution after simulation 1.
Using exchange 19.	Exchange assemblage after simulation 1.
Using surface 19.	
Using pure phase assemblage 19.	Pure-phase assemblage after simulation 1.
Using solid solution assemblage 19.	Solid solution assemblage after simulation 1
Using gas phase 19.	Gas phase after simulation 1.
Using kinetics 19.	

Kinetics 19.	

	Time step: 86400 seconds

	Rate name       Delta Moles Total Moles   Reactant        Coefficient

	K-feldspar       -2.574e-10   4.360e-01   K-feldspar                1

----------------------------------User print-----------------------------------

SAR:    2.8073e+00 

-----------------------------------Gas phase-----------------------------------

Total pressure:  0.68      atmospheres          (Peng-Robinson calculation)
    Gas volume:   2.00e-01 liters
  Molar volume:   3.53e+01 liters/mole
   P * Vm / RT:  0.99965  (Compressibility Factor Z) 

                                                        Moles in gas
                                            ----------------------------------
Component         log P           P    phi     Initial       Final       Delta

CO2(g)            -2.55   2.796e-03  0.997   2.325e-05   2.325e-05   4.583e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.680e-11

-------------------------------Phase assemblage--------------------------------

                                                      Moles in assemblage
Phase               SI  log IAP  log K(T, P)   Initial       Final       Delta

Calcite           0.00    -8.45     -8.45    2.272e-01   2.272e-01  -3.334e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.011e-10
Goethite          0.00    -0.82     -0.82    1.000e-01   1.000e-01   0.000e+00

--------------------------------Solid solutions--------------------------------


Solid solution                Component        Moles  Delta moles   Mole fract

Sulfate                                     8.24e-04
                              Anhydrite     6.24e-04     6.40e-11     7.57e-01
                                 Barite     2.00e-04     2.86e-15     2.43e-01

------------------------------Surface composition------------------------------

Diffuse Double Layer Surface-Complexation Model

Hfo           
	  1.509e-05  Surface charge, eq
	  2.428e-02  sigma, C/m²
	  1.560e-02  psi, V
	 -6.177e-01  -F*psi/RT
	  5.392e-01  exp(-F*psi/RT)
	  6.000e+02  specific area, m²/mol Goethite
	  6.000e+01  m² for   1.000e-01 moles of Goethite


Hfo_s         
	  1.000e-03  moles	[0.01 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_sOHCa+2       9.709e-04       0.971   4.883e-03      -2.311
	Hfo_sOH           2.094e-05       0.021   1.053e-04      -3.978
	Hfo_sOH2+         6.628e-06       0.007   3.333e-05      -4.477
	Hfo_sO-           1.515e-06       0.002   7.621e-06      -5.118
	Hfo_sOHBa+2       2.060e-09       0.000   1.036e-08      -7.985
	Hfo_sOFe+         7.076e-23       0.000   3.559e-22     -21.449

Hfo_w         
	  1.000e-02  moles	[0.1 mol/(mol Goethite)]
	                                   Mole                     Log
	Species               Moles    Fraction    Molality    Molality

	Hfo_wOH           2.561e-03       0.256   1.288e-02      -1.890
	Hfo_wHCO3         2.038e-03       0.204   1.025e-02      -1.989
	Hfo_wOMg+         1.533e-03       0.153   7.709e-03      -2.113
	Hfo_wOHSO4-2      1.439e-03       0.144   7.235e-03      -2.141
	Hfo_wCO3-         1.093e-03       0.109   5.499e-03      -2.260
	Hfo_wOH2+         8.106e-04       0.081   4.076e-03      -2.390
	Hfo_wSO4-         2.301e-04       0.023   1.157e-03      -2.937
	Hfo_wO-           1.853e-04       0.019   9.320e-04      -3.031
	Hfo_wOCa+         1.107e-04       0.011   5.568e-04      -3.254
	Hfo_wH2SiO4-      4.479e-09       0.000   2.253e-08      -7.647
	Hfo_wH3SiO4       2.300e-09       0.000   1.156e-08      -7.937
	Hfo_wHSiO4-2      9.349e-10       0.000   4.702e-09      -8.328
	Hfo_wOBa+         3.395e-12       0.000   1.707e-11     -10.768
	Hfo_wOFe+         8.076e-23       0.000   4.062e-22     -21.391
	Hfo_wOFeOH        1.328e-23       0.000   6.679e-23     -22.175

-----------------------------Exchange composition------------------------------

X                2.000e-01 mol

	                               Equiv-    Equivalent      Log 
	Species             Moles      alents      Fraction     Gamma

	NaX               1.349e-01   1.349e-01   6.746e-01    -0.142
	CaX2              2.257e-02   4.515e-02   2.257e-01    -0.569
	MgX2              9.945e-03   1.989e-02   9.945e-02    -0.522
	KX                3.666e-05   3.666e-05   1.833e-04    -0.183
	BaX2              2.441e-08   4.882e-08   2.441e-07    -0.648
	AlOHX2            9.133e-13   1.827e-12   9.133e-12     0.135
	AlX3              2.968e-14   8.903e-14   4.451e-13    -1.018
	FeX2              1.045e-23   2.091e-23   1.045e-22    -0.580
	NH4X              1.932e-65   1.932e-65   9.660e-65    -0.216

-----------------------------Solution composition------------------------------

	Elements           Molality       Moles

	Al                1.294e-08   2.573e-09
	Ba                1.934e-08   3.846e-09
	C                 2.318e-03   4.610e-04
	Ca                1.340e-02   2.664e-03
	Fe                2.759e-14   5.486e-15
	K                 1.671e-05   3.324e-06
	Mg                1.363e-02   2.710e-03
	N                 1.200e-03   2.386e-04
	Na                3.263e-01   6.489e-02
	Ntg               4.408e-04   8.764e-05
	S                 1.885e-01   3.749e-02
	Si                4.261e-11   8.472e-12

----------------------------Description of solution----------------------------

                                       pH  =   7.521      Charge balance
                                       pe  =  13.539      Adjusted to redox equilibrium
     Specific Conductance (µS/cm,  20°C)  = 23290
                         Density (g/cm³)  =   1.02210
                               Volume (L)  =   0.19974
                        Viscosity (mPa s)  =   1.09215
                        Activity of water  =   0.992
                 Ionic strength (mol/kgw)  =   4.323e-01
                       Mass of water (kg)  =   1.988e-01
                 Total alkalinity (eq/kg)  =   2.236e-03
                       Total CO2 (mol/kg)  =   2.318e-03
                        Temperature (°C)  =  20.00
                           Pressure (atm)  =  0.68
                  Electrical balance (eq)  =  -1.501e-05
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.01
                               Iterations  =  15
                                  Total H  = 2.207392e+01
                                  Total O  = 1.118887e+01

----------------------------Distribution of species----------------------------

                                               Log       Log       Log    mole V
   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol

   OH-             3.490e-07   2.255e-07    -6.457    -6.647    -0.190     -3.30
   H+              3.907e-08   3.011e-08    -7.408    -7.521    -0.113      0.00
   H2O             5.551e+01   9.919e-01     1.744    -0.004     0.000     18.05
Al            1.294e-08
   Al(OH)4-        1.274e-08   8.638e-09    -7.895    -8.064    -0.169     (0)  
   Al(OH)3         1.338e-10   1.478e-10    -9.873    -9.830     0.043     (0)  
   Al(OH)2+        6.348e-11   4.456e-11   -10.197   -10.351    -0.154     (0)  
   AlOH+2          1.115e-12   2.706e-13   -11.953   -12.568    -0.615    -26.59
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   Al+3            1.198e-14   1.149e-15   -13.922   -14.940    -1.018    -40.21
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
Ba            1.934e-08
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   Ba+2            5.220e-09   1.173e-09    -8.282    -8.931    -0.648    -11.65
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   BaOH+           1.893e-15   1.310e-15   -14.723   -14.883    -0.160     (0)  
C(-4)         0.000e+00
   CH4             0.000e+00   0.000e+00  -147.407  -147.364     0.043     35.01
C(4)          2.318e-03
   HCO3-           2.128e-03   1.493e-03    -2.672    -2.826    -0.154     25.66
   CO2             9.886e-05   1.092e-04    -4.005    -3.962     0.043     34.19
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   CO3-2           8.605e-06   2.089e-06    -5.065    -5.680    -0.615     -1.83
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   (CO2)2          1.672e-10   1.847e-10    -9.777    -9.733     0.043     68.37
   BaHCO3+         1.958e-11   1.435e-11   -10.708   -10.843    -0.135     (0)  
   BaCO3           1.037e-12   1.145e-12   -11.984   -11.941     0.043    -10.75
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
Ca            1.340e-02
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   Ca+2            6.335e-03   1.709e-03    -2.198    -2.767    -0.569    -17.03
   CaHCO3+         4.177e-05   2.991e-05    -4.379    -4.524    -0.145      9.71
   CaCO3           4.957e-06   5.476e-06    -5.305    -5.262     0.043    -14.62
   CaOH+           1.275e-08   9.344e-09    -7.894    -8.029    -0.135     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
Fe(2)         1.337e-23
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   Fe+2            6.396e-24   1.682e-24   -23.194   -23.774    -0.580    -21.30
   FeHCO3+         3.428e-25   2.512e-25   -24.465   -24.600    -0.135     (0)  
   FeCO3           7.629e-26   8.428e-26   -25.118   -25.074     0.043     (0)  
   FeOH+           1.732e-26   1.198e-26   -25.761   -25.921    -0.160     (0)  
   Fe(OH)2         1.954e-30   2.159e-30   -29.709   -29.666     0.043     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   Fe(OH)3-        3.634e-33   2.514e-33   -32.440   -32.600    -0.160     (0)  
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
Fe(3)         2.759e-14
   Fe(OH)3         1.837e-14   2.030e-14   -13.736   -13.693     0.043     (0)  
   Fe(OH)2+        8.504e-15   5.969e-15   -14.070   -14.224    -0.154     (0)  
   Fe(OH)4-        7.082e-16   4.971e-16   -15.150   -15.304    -0.154     (0)  
   FeOH+2          2.899e-18   6.636e-19   -17.538   -18.178    -0.640     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   Fe+3            4.389e-23   4.209e-24   -22.358   -23.376    -1.018     (0)  
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   Fe2(OH)2+4      2.116e-33   1.462e-35   -32.674   -34.835    -2.161     (0)  
   Fe3(OH)4+5      0.000e+00   0.000e+00   -43.159   -46.535    -3.376     (0)  
H(0)          0.000e+00
   H2              0.000e+00   0.000e+00   -45.293   -45.249     0.043     28.61
K             1.671e-05
   K+              1.458e-05   9.562e-06    -4.836    -5.019    -0.183      9.34
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
Mg            1.363e-02
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg+2            4.429e-03   1.331e-03    -2.354    -2.876    -0.522    -20.49
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   MgHCO3+         3.440e-05   2.280e-05    -4.463    -4.642    -0.179      5.61
   MgCO3           2.224e-06   2.456e-06    -5.653    -5.610     0.043    -17.09
   MgOH+           1.383e-07   1.006e-07    -6.859    -6.998    -0.139     (0)  
N(-3)         0.000e+00
   NH4+            0.000e+00   0.000e+00   -65.009   -65.225    -0.216     18.20
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
   NH3             0.000e+00   0.000e+00   -67.147   -67.104     0.043     24.19
N(0)          2.322e-21
   N2              1.161e-21   1.282e-21   -20.935   -20.892     0.043     29.29
N(3)          1.198e-16
   NO2-            1.198e-16   7.523e-17   -15.922   -16.124    -0.202     25.25
N(5)          1.200e-03
   NO3-            1.200e-03   7.536e-04    -2.921    -3.123    -0.202     29.60
Na            3.263e-01
   Na+             2.769e-01   1.999e-01    -0.558    -0.699    -0.142     -0.94
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   NaOH            4.082e-18   4.509e-18   -17.389   -17.346     0.043     (0)  
Ntg           4.408e-04
   Ntg             4.408e-04   4.869e-04    -3.356    -3.313     0.043     29.29
O(0)          5.351e-04
   O2              2.675e-04   2.955e-04    -3.573    -3.529     0.043     29.98
S(-2)         0.000e+00
   HS-             0.000e+00   0.000e+00  -142.978  -143.168    -0.190     20.91
   H2S             0.000e+00   0.000e+00  -143.722  -143.679     0.043     34.96
   S-2             0.000e+00   0.000e+00  -148.075  -148.716    -0.640     (0)  
   (H2S)2          0.000e+00   0.000e+00  -288.737  -288.693     0.043     30.28
   Fe(HS)2         0.000e+00   0.000e+00  -301.203  -301.160     0.043     (0)  
   Fe(HS)3-        0.000e+00   0.000e+00  -442.156  -442.291    -0.135     (0)  
S(6)          1.885e-01
   SO4-2           1.204e-01   2.649e-02    -0.919    -1.577    -0.658     16.30
   NaSO4-          4.940e-02   2.297e-02    -1.306    -1.639    -0.333     18.81
   CaSO4           7.015e-03   7.750e-03    -2.154    -2.111     0.043      7.30
   MgSO4           6.649e-03   8.113e-03    -2.177    -2.091     0.086     -1.74
   Mg(SO4)2-2      2.517e-03   7.777e-04    -2.599    -3.109    -0.510     45.93
   KSO4-           2.140e-06   1.003e-06    -5.670    -5.999    -0.329     30.41
   HSO4-           9.510e-08   6.969e-08    -7.022    -7.157    -0.135     40.44
   BaSO4           1.410e-08   1.558e-08    -7.851    -7.808     0.043     (0)  
   CaHSO4+         1.954e-09   1.432e-09    -8.709    -8.844    -0.135     (0)  
   AlSO4+          1.329e-13   9.008e-14   -12.877   -13.045    -0.169     (0)  
   Al(SO4)2-       1.087e-13   7.370e-14   -12.964   -13.133    -0.169     (0)  
   FeSO4+          1.579e-21   1.092e-21   -20.802   -20.962    -0.160     (0)  
   Fe(SO4)2-       8.470e-22   6.206e-22   -21.072   -21.207    -0.135     (0)  
   AlHSO4+2        8.007e-22   2.308e-22   -21.097   -21.637    -0.540     (0)  
   FeSO4           6.535e-24   7.219e-24   -23.185   -23.142     0.043     24.60
   FeHSO4+2        3.072e-28   8.857e-29   -27.513   -28.053    -0.540     (0)  
   FeHSO4+         1.923e-30   1.409e-30   -29.716   -29.851    -0.135     (0)  
   NH4SO4-         0.000e+00   0.000e+00   -65.363   -65.696    -0.333     37.74
Si            4.261e-11
   H4SiO4          4.232e-11   4.675e-11   -10.373   -10.330     0.043     52.53
   H3SiO4-         2.886e-13   1.913e-13   -12.540   -12.718    -0.179     28.40
   H2SiO4-2        1.273e-18   3.090e-19   -17.895   -18.510    -0.615     (0)  

------------------------------Saturation indices-------------------------------

  Phase               SI** log IAP   log K(293 K,   1 atm)

  Al(OH)3(a)       -3.52      7.61   11.13  Al(OH)3
  Albite          -21.40    -39.73  -18.33  NaAlSi3O8
  Alunite          -7.11     -7.89   -0.77  KAl3(SO4)2(OH)6
  Anhydrite        -0.12     -4.34   -4.22  CaSO4
  Anorthite       -19.67    -39.53  -19.86  CaAl2Si2O8
  Aragonite        -0.14     -8.45   -8.31  CaCO3
  Arcanite         -9.67    -11.62   -1.95  K2SO4
  Barite           -0.61    -10.51   -9.89  BaSO4
  Ca-Montmorillonite -26.40    -72.16  -45.76  Ca0.165Al2.33Si3.67O10(OH)2
  Calcite           0.00     -8.45   -8.45  CaCO3
  CH4(g)         -144.61   -147.36   -2.75  CH4
  Chalcedony       -6.71    -10.32   -3.61  SiO2
  Chlorite(14A)   -25.20     45.07   70.27  Mg5Al2Si3O10(OH)8
  Chrysotile      -16.99     15.84   32.83  Mg3Si2O5(OH)4
  CO2(g)           -2.55     -3.96   -1.41  CO2	 Pressure   0.0 atm, phi 0.997
  Dolomite          0.00    -17.00  -17.00  CaMg(CO3)2
  Epsomite         -2.71     -4.48   -1.77  MgSO4:7H2O
  Fe(OH)3(a)       -5.71     -0.82    4.89  Fe(OH)3
  FeS(ppt)       -155.51   -159.42   -3.92  FeS
  Gibbsite         -0.78      7.61    8.40  Al(OH)3
  Goethite          0.00     -0.82   -0.82  FeOOH
  Gypsum            0.23     -4.35   -4.58  CaSO4:2H2O
  H2(g)           -42.16    -45.25   -3.09  H2
  H2O(g)           -1.64     -0.00    1.63  H2O
  H2S(g)         -142.74   -150.69   -7.95  H2S
  Hematite          1.99     -1.63   -3.62  Fe2O3
  Hexahydrite      -2.90     -4.47   -1.57  MgSO4:6H2O
  Illite          -26.47    -67.42  -40.95  K0.6Mg0.25Al2.3Si3.5O10(OH)2
  Jarosite-K      -24.38    -33.19   -8.82  KFe3(SO4)2(OH)6
  K-feldspar      -23.09    -44.05  -20.96  KAlSi3O8
  K-mica          -19.06     -5.62   13.45  KAl3Si3O10(OH)2
  Kaolinite       -13.29     -5.42    7.88  Al2Si2O5(OH)4
  Kieserite        -3.26     -4.46   -1.20  MgSO4:H2O
  Mackinawite    -154.77   -159.42   -4.65  FeS
  Melanterite     -23.10    -25.38   -2.27  FeSO4:7H2O
  Mirabilite       -1.55     -3.01   -1.46  Na2SO4:10H2O
  N2(g)           -17.75    -20.89   -3.14  N2
  NH3(g)          -69.01    -67.10    1.90  NH3
  Ntg(g)           -0.17     -3.31   -3.14  Ntg	 Pressure   0.7 atm, phi 1.000
  O2(g)            -0.68     -3.53   -2.85  O2
  Pyrite         -249.37   -267.99  -18.62  FeS2
  Quartz           -6.27    -10.32   -4.06  SiO2
  Sepiolite       -22.55     -6.66   15.89  Mg2Si3O7.5OH:3H2O
  Sepiolite(d)    -25.32     -6.66   18.66  Mg2Si3O7.5OH:3H2O
  Siderite        -18.60    -29.45  -10.86  FeCO3
  SiO2(a)          -7.57    -10.32   -2.75  SiO2
  Sulfur         -106.56   -101.56    5.00  S
  Talc            -26.79     -4.81   21.98  Mg3Si4O10(OH)2
  Thenardite       -2.70     -2.98   -0.28  Na2SO4
  Witherite        -6.04    -14.61   -8.57  BaCO3

**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
  For ideal gases, phi = 1.

------------------
End of simulation.
------------------

------------------------------------
Reading input data for simulation 2.
------------------------------------

-------------------------------
End of Run after 8.298 Seconds.
-------------------------------

Current distribution of cells for workers
Worker      First cell        Last Cell
0           0                 0
1           1                 9
2           10                 19
Selected output sequence number: 0
Selected output user number:     333
Cell number 0
     Density: 0.998549
     Volume:  0.199785
     Components: 
          0 H: 110.684
          1 O: 55.3534
          2 Charge: 4.1292e-07
          3 Al: 1.68304e-09
          4 Ba: 4.08437e-08
          5 C: 0.00411896
          6 Ca: 1.20873e-05
          7 Cl: 0.00119643
          8 Fe: 1.32023e-13
          9 K: 3.92305e-07
          10 Mg: 7.64096e-06
          11 N: 0
          12 Na: 0.00644273
          13 Ntg: 0.000409196
          14 S: 2.83645e-20
          15 Si: 9.37997e-13
     Selected output: 
          0 solution_ph: 9.82882
          1 solution_pe: 11.2195
          2 solution_alkalinity: 0.00530166
          3 solution_ionic_strength: 0.00760996
          4 solution_water_mass: 0.199403
          5 solution_charge_balance: 4.14157e-07
          6 solution_percent_error: 0.00319286
          7 solution_specific_conductance: 573.97
          8 solution_total_molality_Al: 1.68808e-09
          9 solution_total_molality_Ba: 4.09661e-08
          10 solution_total_molality_C: 0.0041313
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0041313
          13 solution_total_molality_Ca: 1.21235e-05
          14 solution_total_molality_Cl: 0.00120001
          15 solution_total_molality_Fe: 1.32419e-13
          16 solution_total_molality_Fe(2): 9.14051e-28
          17 solution_total_molality_Fe(3): 1.32419e-13
          18 solution_total_molality_H: 111.015
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 3.9348e-07
          22 solution_total_molality_Mg: 7.66385e-06
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.00646203
          29 solution_total_molality_Ntg: 0.000410422
          30 solution_total_molality_O: 55.5192
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.00053507
          33 solution_total_molality_S: 2.84495e-20
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 2.84495e-20
          36 solution_total_molality_Si: 9.40807e-13
          37 exchange_total_molality_X: 1.003
          38 exchange_X_species_log_molality_AlOHX2: -16.5211
          39 exchange_X_species_log_molality_AlX3: -19.5665
          40 exchange_X_species_log_molality_BaX2: -3.71832
          41 exchange_X_species_log_molality_CaX2: -1.53215
          42 exchange_X_species_log_molality_FeX2: -24.9161
          43 exchange_X_species_log_molality_KX: -4.45268
          44 exchange_X_species_log_molality_MgX2: -1.84361
          45 exchange_X_species_log_molality_NaX: -0.950084
          46 exchange_X_species_log_molality_X-: 1.93852
          47 surface_total_molality_Hfo_s: 0.00501498
          48 surface_total_molality_Hfo_w: 0.0501498
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -3.51457
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -22.897
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -3.90274
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -5.9309
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -5.07054
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.25225
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -3.64034
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.96342
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -10.7816
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -4.89851
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.11525
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -2.3663
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.2641
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -3.60581
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -23.7788
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -23.0307
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.75446
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -4.78263
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -22.6954
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.4645
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -25.0235
          70 equilibrium_phases_moles_Calcite: 0.228866
          71 equilibrium_phases_delta_moles_Calcite: 0.000116454
          72 equilibrium_phases_moles_Dolomite: 0.179475
          73 equilibrium_phases_delta_moles_Dolomite: -0.000413372
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: -2.64372e-14
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 2.09596e-07
          78 gas_phase_pressure_CO2(g): 2.52026e-05
          79 gas_phase_phi_CO2(g): 0.997796
          80 gas_phase_moles_Ntg(g): 0.00476463
          81 gas_phase_pressure_Ntg(g): 0.572919
          82 gas_phase_phi_Ntg(g): 0.999709
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -3.36608e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 2.05442
Cell number 1
     Density: 0.998817
     Volume:  0.199802
     Components: 
          0 H: 110.685
          1 O: 55.3656
          2 Charge: 1.78724e-07
          3 Al: 2.99638e-09
          4 Ba: 8.17802e-08
          5 C: 0.00882286
          6 Ca: 1.85537e-05
          7 Cl: 0.00119643
          8 Fe: 4.43444e-14
          9 K: 5.97921e-07
          10 Mg: 1.25931e-05
          11 N: 0
          12 Na: 0.0106273
          13 Ntg: 0.000478658
          14 S: 6.74353e-16
          15 Si: 2.94188e-12
     Selected output: 
          0 solution_ph: 9.15147
          1 solution_pe: 11.897
          2 solution_alkalinity: 0.00952252
          3 solution_ionic_strength: 0.011394
          4 solution_water_mass: 0.199396
          5 solution_charge_balance: 1.79265e-07
          6 solution_percent_error: 0.000837263
          7 solution_specific_conductance: 886.41
          8 solution_total_molality_Al: 3.00545e-09
          9 solution_total_molality_Ba: 8.20279e-08
          10 solution_total_molality_C: 0.00884958
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.00884958
          13 solution_total_molality_Ca: 1.86099e-05
          14 solution_total_molality_Cl: 0.00120005
          15 solution_total_molality_Fe: 4.44787e-14
          16 solution_total_molality_Fe(2): 1.23176e-26
          17 solution_total_molality_Fe(3): 4.44787e-14
          18 solution_total_molality_H: 111.021
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 5.99731e-07
          22 solution_total_molality_Mg: 1.26313e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.0106595
          29 solution_total_molality_Ntg: 0.000480108
          30 solution_total_molality_O: 55.5333
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000535087
          33 solution_total_molality_S: 6.76395e-16
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 6.76395e-16
          36 solution_total_molality_Si: 2.95078e-12
          37 exchange_total_molality_X: 1.00303
          38 exchange_X_species_log_molality_AlOHX2: -14.5986
          39 exchange_X_species_log_molality_AlX3: -17.0778
          40 exchange_X_species_log_molality_BaX2: -3.72799
          41 exchange_X_species_log_molality_CaX2: -1.59714
          42 exchange_X_species_log_molality_FeX2: -23.8786
          43 exchange_X_species_log_molality_KX: -4.44216
          44 exchange_X_species_log_molality_MgX2: -1.90952
          45 exchange_X_species_log_molality_NaX: -0.905225
          46 exchange_X_species_log_molality_X-: 1.76601
          47 surface_total_molality_Hfo_s: 0.00501514
          48 surface_total_molality_Hfo_w: 0.0501514
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.03426
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -22.2517
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -3.83991
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -5.28556
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -4.89253
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.12783
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.81633
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.54202
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.77767
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -3.49198
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.27638
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -2.6458
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.42841
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -3.82372
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.8932
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7277
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.45144
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.89709
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -17.8611
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.6824
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -19.6066
          70 equilibrium_phases_moles_Calcite: 0.228254
          71 equilibrium_phases_delta_moles_Calcite: 3.39023e-05
          72 equilibrium_phases_moles_Dolomite: 0.182826
          73 equilibrium_phases_delta_moles_Dolomite: -0.000276809
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 1.26565e-14
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 2.66121e-06
          78 gas_phase_pressure_CO2(g): 0.000319978
          79 gas_phase_phi_CO2(g): 0.997418
          80 gas_phase_moles_Ntg(g): 0.00557904
          81 gas_phase_pressure_Ntg(g): 0.670812
          82 gas_phase_phi_Ntg(g): 0.999659
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.77153e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 2.69705
Cell number 2
     Density: 0.99903
     Volume:  0.199814
     Components: 
          0 H: 110.686
          1 O: 55.3751
          2 Charge: -4.08772e-07
          3 Al: 4.3415e-09
          4 Ba: 1.29206e-07
          5 C: 0.0124677
          6 Ca: 2.63425e-05
          7 Cl: 0.00119643
          8 Fe: 3.18248e-14
          9 K: 7.69198e-07
          10 Mg: 1.85805e-05
          11 N: 0
          12 Na: 0.0140146
          13 Ntg: 0.000483611
          14 S: 3.8704e-13
          15 Si: 8.00394e-12
     Selected output: 
          0 solution_ph: 8.81695
          1 solution_pe: 12.2317
          2 solution_alkalinity: 0.0129489
          3 solution_ionic_strength: 0.0146332
          4 solution_water_mass: 0.199391
          5 solution_charge_balance: -4.10021e-07
          6 solution_percent_error: -0.0014509
          7 solution_specific_conductance: 1142.7
          8 solution_total_molality_Al: 4.35477e-09
          9 solution_total_molality_Ba: 1.29601e-07
          10 solution_total_molality_C: 0.0125058
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0125058
          13 solution_total_molality_Ca: 2.6423e-05
          14 solution_total_molality_Cl: 0.00120008
          15 solution_total_molality_Fe: 3.19221e-14
          16 solution_total_molality_Fe(2): 4.36174e-26
          17 solution_total_molality_Fe(3): 3.19221e-14
          18 solution_total_molality_H: 111.024
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 7.71548e-07
          22 solution_total_molality_Mg: 1.86373e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.0140574
          29 solution_total_molality_Ntg: 0.000485088
          30 solution_total_molality_O: 55.5442
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000535102
          33 solution_total_molality_S: 3.88222e-13
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 3.88222e-13
          36 solution_total_molality_Si: 8.02839e-12
          37 exchange_total_molality_X: 1.00305
          38 exchange_X_species_log_molality_AlOHX2: -13.6591
          39 exchange_X_species_log_molality_AlX3: -15.8693
          40 exchange_X_species_log_molality_BaX2: -3.73242
          41 exchange_X_species_log_molality_CaX2: -1.61915
          42 exchange_X_species_log_molality_FeX2: -23.4048
          43 exchange_X_species_log_molality_KX: -4.43999
          44 exchange_X_species_log_molality_MgX2: -1.93226
          45 exchange_X_species_log_molality_NaX: -0.892293
          46 exchange_X_species_log_molality_X-: 1.65877
          47 surface_total_molality_Hfo_s: 0.00501527
          48 surface_total_molality_Hfo_w: 0.0501527
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.4572
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -22.0314
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -3.94122
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -5.06524
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -4.83087
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.08237
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.62655
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.37431
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.28833
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.98057
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.43029
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -2.95256
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.57221
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -3.98371
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.5567
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7129
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.43658
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.5606
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -15.0859
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.84239
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -16.5097
          70 equilibrium_phases_moles_Calcite: 0.228199
          71 equilibrium_phases_delta_moles_Calcite: -5.11168e-06
          72 equilibrium_phases_moles_Dolomite: 0.184082
          73 equilibrium_phases_delta_moles_Dolomite: -0.000174408
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 1.7486e-15
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 8.34897e-06
          78 gas_phase_pressure_CO2(g): 0.00100386
          79 gas_phase_phi_CO2(g): 0.997384
          80 gas_phase_moles_Ntg(g): 0.00564118
          81 gas_phase_pressure_Ntg(g): 0.678281
          82 gas_phase_phi_Ntg(g): 0.999655
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.83194e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 2.96157
Cell number 3
     Density: 0.999143
     Volume:  0.199821
     Components: 
          0 H: 110.687
          1 O: 55.38
          2 Charge: -8.09167e-07
          3 Al: 5.7845e-09
          4 Ba: 1.58786e-07
          5 C: 0.014392
          6 Ca: 3.10037e-05
          7 Cl: 0.00119643
          8 Fe: 2.89747e-14
          9 K: 8.59024e-07
          10 Mg: 2.21595e-05
          11 N: 0
          12 Na: 0.0158343
          13 Ntg: 0.000483627
          14 S: 1.06952e-10
          15 Si: 1.25572e-11
     Selected output: 
          0 solution_ph: 8.68036
          1 solution_pe: 12.3683
          2 solution_alkalinity: 0.0147914
          3 solution_ionic_strength: 0.0164181
          4 solution_water_mass: 0.199388
          5 solution_charge_balance: -8.11651e-07
          6 solution_percent_error: -0.00254099
          7 solution_specific_conductance: 1280.1
          8 solution_total_molality_Al: 5.80226e-09
          9 solution_total_molality_Ba: 1.59274e-07
          10 solution_total_molality_C: 0.0144362
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0144362
          13 solution_total_molality_Ca: 3.10989e-05
          14 solution_total_molality_Cl: 0.0012001
          15 solution_total_molality_Fe: 2.90636e-14
          16 solution_total_molality_Fe(2): 7.44258e-26
          17 solution_total_molality_Fe(3): 2.90636e-14
          18 solution_total_molality_H: 111.026
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 8.61661e-07
          22 solution_total_molality_Mg: 2.22275e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.0158829
          29 solution_total_molality_Ntg: 0.000485112
          30 solution_total_molality_O: 55.55
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.00053511
          33 solution_total_molality_S: 1.0728e-10
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 1.0728e-10
          36 solution_total_molality_Si: 1.25958e-11
          37 exchange_total_molality_X: 1.00307
          38 exchange_X_species_log_molality_AlOHX2: -13.2237
          39 exchange_X_species_log_molality_AlX3: -15.3241
          40 exchange_X_species_log_molality_BaX2: -3.73416
          41 exchange_X_species_log_molality_CaX2: -1.63026
          42 exchange_X_species_log_molality_FeX2: -23.216
          43 exchange_X_species_log_molality_KX: -4.43889
          44 exchange_X_species_log_molality_MgX2: -1.94377
          45 exchange_X_species_log_molality_NaX: -0.886147
          46 exchange_X_species_log_molality_X-: 1.61189
          47 surface_total_molality_Hfo_s: 0.00501535
          48 surface_total_molality_Hfo_w: 0.0501535
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.65693
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -21.9556
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.0032
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -4.98947
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -4.80896
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.06909
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.58817
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.33062
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.1069
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.80445
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.52435
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.11444
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.6502
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.07032
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.4431
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7371
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.46071
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.44698
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -12.6829
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.92901
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -13.9689
          70 equilibrium_phases_moles_Calcite: 0.228235
          71 equilibrium_phases_delta_moles_Calcite: -6.36365e-06
          72 equilibrium_phases_moles_Dolomite: 0.184637
          73 equilibrium_phases_delta_moles_Dolomite: -7.86906e-05
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 3.60822e-16
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.32402e-05
          78 gas_phase_pressure_CO2(g): 0.00159197
          79 gas_phase_phi_CO2(g): 0.997379
          80 gas_phase_moles_Ntg(g): 0.00564379
          81 gas_phase_pressure_Ntg(g): 0.678592
          82 gas_phase_phi_Ntg(g): 0.999655
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.9626e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 3.07591
Cell number 4
     Density: 0.999184
     Volume:  0.199822
     Components: 
          0 H: 110.687
          1 O: 55.3817
          2 Charge: -1.05439e-06
          3 Al: 7.28729e-09
          4 Ba: 1.69999e-07
          5 C: 0.0150764
          6 Ca: 3.27264e-05
          7 Cl: 0.00119643
          8 Fe: 2.82515e-14
          9 K: 8.9067e-07
          10 Mg: 2.34814e-05
          11 N: 0
          12 Na: 0.016484
          13 Ntg: 0.000483552
          14 S: 4.53626e-08
          15 Si: 1.43325e-11
     Selected output: 
          0 solution_ph: 8.63672
          1 solution_pe: 12.412
          2 solution_alkalinity: 0.0154496
          3 solution_ionic_strength: 0.0170602
          4 solution_water_mass: 0.199387
          5 solution_charge_balance: -1.05763e-06
          6 solution_percent_error: -0.00318011
          7 solution_specific_conductance: 1329.05
          8 solution_total_molality_Al: 7.3097e-09
          9 solution_total_molality_Ba: 1.70522e-07
          10 solution_total_molality_C: 0.0151228
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0151228
          13 solution_total_molality_Ca: 3.28271e-05
          14 solution_total_molality_Cl: 0.00120011
          15 solution_total_molality_Fe: 2.83384e-14
          16 solution_total_molality_Fe(2): 8.85682e-26
          17 solution_total_molality_Fe(3): 2.83384e-14
          18 solution_total_molality_H: 111.027
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 8.9341e-07
          22 solution_total_molality_Mg: 2.35537e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.0165347
          29 solution_total_molality_Ntg: 0.000485039
          30 solution_total_molality_O: 55.5521
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000535113
          33 solution_total_molality_S: 4.55022e-08
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 4.55022e-08
          36 solution_total_molality_Si: 1.43766e-11
          37 exchange_total_molality_X: 1.00308
          38 exchange_X_species_log_molality_AlOHX2: -13.0249
          39 exchange_X_species_log_molality_AlX3: -15.0902
          40 exchange_X_species_log_molality_BaX2: -3.73467
          41 exchange_X_species_log_molality_CaX2: -1.63423
          42 exchange_X_species_log_molality_FeX2: -23.1562
          43 exchange_X_species_log_molality_KX: -4.43851
          44 exchange_X_species_log_molality_MgX2: -1.94788
          45 exchange_X_species_log_molality_NaX: -0.884009
          46 exchange_X_species_log_molality_X-: 1.59656
          47 surface_total_molality_Hfo_s: 0.00501538
          48 surface_total_molality_Hfo_w: 0.0501538
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.72138
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -21.9322
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.02371
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -4.96605
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -4.8023
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.06563
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.58009
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.32638
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.05871
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.75242
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.56405
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.17027
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.67886
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.10219
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.4111
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.749
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.4726
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.41494
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -10.0719
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.96087
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -11.314
          70 equilibrium_phases_moles_Calcite: 0.228258
          71 equilibrium_phases_delta_moles_Calcite: -2.15551e-06
          72 equilibrium_phases_moles_Dolomite: 0.184818
          73 equilibrium_phases_delta_moles_Dolomite: -2.31795e-05
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 8.32667e-17
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.53396e-05
          78 gas_phase_pressure_CO2(g): 0.00184439
          79 gas_phase_phi_CO2(g): 0.997377
          80 gas_phase_moles_Ntg(g): 0.00564378
          81 gas_phase_pressure_Ntg(g): 0.678588
          82 gas_phase_phi_Ntg(g): 0.999655
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -3.0214e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 3.1142
Cell number 5
     Density: 0.999193
     Volume:  0.199823
     Components: 
          0 H: 110.686
          1 O: 55.382
          2 Charge: -1.09029e-06
          3 Al: 8.81685e-09
          4 Ba: 1.72932e-07
          5 C: 0.0152099
          6 Ca: 3.31403e-05
          7 Cl: 0.00119643
          8 Fe: 2.81138e-14
          9 K: 8.97972e-07
          10 Mg: 2.3804e-05
          11 N: 0
          12 Na: 0.0166348
          13 Ntg: 0.00048353
          14 S: 1.24439e-05
          15 Si: 1.44741e-11
     Selected output: 
          0 solution_ph: 8.62779
          1 solution_pe: 12.4209
          2 solution_alkalinity: 0.0155776
          3 solution_ionic_strength: 0.0172209
          4 solution_water_mass: 0.199386
          5 solution_charge_balance: -1.09365e-06
          6 solution_percent_error: -0.0032586
          7 solution_specific_conductance: 1340.89
          8 solution_total_molality_Al: 8.844e-09
          9 solution_total_molality_Ba: 1.73465e-07
          10 solution_total_molality_C: 0.0152568
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0152568
          13 solution_total_molality_Ca: 3.32423e-05
          14 solution_total_molality_Cl: 0.00120011
          15 solution_total_molality_Fe: 2.82004e-14
          16 solution_total_molality_Fe(2): 9.17551e-26
          17 solution_total_molality_Fe(3): 2.82004e-14
          18 solution_total_molality_H: 111.027
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 9.00737e-07
          22 solution_total_molality_Mg: 2.38773e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.016686
          29 solution_total_molality_Ntg: 0.000485019
          30 solution_total_molality_O: 55.5525
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000535115
          33 solution_total_molality_S: 1.24822e-05
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 1.24822e-05
          36 solution_total_molality_Si: 1.45186e-11
          37 exchange_total_molality_X: 1.00308
          38 exchange_X_species_log_molality_AlOHX2: -12.9227
          39 exchange_X_species_log_molality_AlX3: -14.9808
          40 exchange_X_species_log_molality_BaX2: -3.73479
          41 exchange_X_species_log_molality_CaX2: -1.63516
          42 exchange_X_species_log_molality_FeX2: -23.1444
          43 exchange_X_species_log_molality_KX: -4.43841
          44 exchange_X_species_log_molality_MgX2: -1.94885
          45 exchange_X_species_log_molality_NaX: -0.88351
          46 exchange_X_species_log_molality_X-: 1.59312
          47 surface_total_molality_Hfo_s: 0.0050154
          48 surface_total_molality_Hfo_w: 0.050154
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.73418
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -21.9275
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.02779
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -4.9614
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -4.80092
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.06499
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.5787
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.33294
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.05655
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.74232
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.57933
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.18161
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.68474
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.10881
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.405
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7516
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.47522
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.40884
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -7.63687
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.9675
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -8.87024
          70 equilibrium_phases_moles_Calcite: 0.228266
          71 equilibrium_phases_delta_moles_Calcite: 1.16651e-05
          72 equilibrium_phases_moles_Dolomite: 0.184852
          73 equilibrium_phases_delta_moles_Dolomite: -9.44466e-06
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 1.38778e-17
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.57958e-05
          78 gas_phase_pressure_CO2(g): 0.00189924
          79 gas_phase_phi_CO2(g): 0.997376
          80 gas_phase_moles_Ntg(g): 0.00564376
          81 gas_phase_pressure_Ntg(g): 0.678585
          82 gas_phase_phi_Ntg(g): 0.999654
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -3.03394e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 3.1223
Cell number 6
     Density: 0.999313
     Volume:  0.199823
     Components: 
          0 H: 110.686
          1 O: 55.3849
          2 Charge: 2.38018e-06
          3 Al: 1.0331e-08
          4 Ba: 2.48503e-07
          5 C: 0.0141421
          6 Ca: 4.1135e-05
          7 Cl: 0.00119643
          8 Fe: 2.76528e-14
          9 K: 9.91798e-07
          10 Mg: 3.0612e-05
          11 N: 0
          12 Na: 0.0183811
          13 Ntg: 0.000483194
          14 S: 0.00145521
          15 Si: 1.41141e-11
     Selected output: 
          0 solution_ph: 8.59363
          1 solution_pe: 12.4551
          2 solution_alkalinity: 0.0144611
          3 solution_ionic_strength: 0.0202646
          4 solution_water_mass: 0.199387
          5 solution_charge_balance: 2.38749e-06
          6 solution_percent_error: 0.00645822
          7 solution_specific_conductance: 1527.45
          8 solution_total_molality_Al: 1.03628e-08
          9 solution_total_molality_Ba: 2.49266e-07
          10 solution_total_molality_C: 0.0141856
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0141856
          13 solution_total_molality_Ca: 4.12614e-05
          14 solution_total_molality_Cl: 0.0012001
          15 solution_total_molality_Fe: 2.77377e-14
          16 solution_total_molality_Fe(2): 9.82156e-26
          17 solution_total_molality_Fe(3): 2.77377e-14
          18 solution_total_molality_H: 111.026
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 9.94846e-07
          22 solution_total_molality_Mg: 3.07061e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.0184375
          29 solution_total_molality_Ntg: 0.000484679
          30 solution_total_molality_O: 55.5551
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000535111
          33 solution_total_molality_S: 0.00145969
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 0.00145969
          36 solution_total_molality_Si: 1.41575e-11
          37 exchange_total_molality_X: 1.00307
          38 exchange_X_species_log_molality_AlOHX2: -12.8426
          39 exchange_X_species_log_molality_AlX3: -14.8787
          40 exchange_X_species_log_molality_BaX2: -3.73471
          41 exchange_X_species_log_molality_CaX2: -1.63507
          42 exchange_X_species_log_molality_FeX2: -23.1457
          43 exchange_X_species_log_molality_KX: -4.4384
          44 exchange_X_species_log_molality_MgX2: -1.9494
          45 exchange_X_species_log_molality_NaX: -0.883448
          46 exchange_X_species_log_molality_X-: 1.55139
          47 surface_total_molality_Hfo_s: 0.00501536
          48 surface_total_molality_Hfo_w: 0.0501536
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.7348
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -21.9282
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.02841
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -4.96202
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -4.80201
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.06488
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.57933
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.34184
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.06545
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.74294
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.58822
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.18152
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -7.68512
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.10799
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.4049
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7516
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.47513
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.40874
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -5.51708
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.96667
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -6.75043
          70 equilibrium_phases_moles_Calcite: 0.228249
          71 equilibrium_phases_delta_moles_Calcite: 4.86396e-05
          72 equilibrium_phases_moles_Dolomite: 0.184857
          73 equilibrium_phases_delta_moles_Dolomite: 2.28666e-06
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 1.38778e-17
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.57698e-05
          78 gas_phase_pressure_CO2(g): 0.00189611
          79 gas_phase_phi_CO2(g): 0.997376
          80 gas_phase_moles_Ntg(g): 0.00564375
          81 gas_phase_pressure_Ntg(g): 0.678587
          82 gas_phase_phi_Ntg(g): 0.999654
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.99984e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 0
          86 solid_solution_Sulfate_moles_Barite: 0
          87 calculate_value_sar: 3.07362
Cell number 7
     Density: 0.999641
     Volume:  0.199827
     Components: 
          0 H: 110.687
          1 O: 55.3942
          2 Charge: 4.55267e-05
          3 Al: 1.16998e-08
          4 Ba: 1.63277e-07
          5 C: 0.0117847
          6 Ca: 6.79326e-05
          7 Cl: 0.00119643
          8 Fe: 2.67545e-14
          9 K: 1.24875e-06
          10 Mg: 5.37483e-05
          11 N: 0
          12 Na: 0.0231867
          13 Ntg: 0.000482312
          14 S: 0.00510814
          15 Si: 1.34598e-11
     Selected output: 
          0 solution_ph: 8.51775
          1 solution_pe: 12.5312
          2 solution_alkalinity: 0.0120099
          3 solution_ionic_strength: 0.0283037
          4 solution_water_mass: 0.199394
          5 solution_charge_balance: 4.56652e-05
          6 solution_percent_error: 0.0986728
          7 solution_specific_conductance: 2015.12
          8 solution_total_molality_Al: 1.17354e-08
          9 solution_total_molality_Ba: 1.63774e-07
          10 solution_total_molality_C: 0.0118205
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.0118205
          13 solution_total_molality_Ca: 6.81392e-05
          14 solution_total_molality_Cl: 0.00120007
          15 solution_total_molality_Fe: 2.68359e-14
          16 solution_total_molality_Fe(2): 1.16421e-25
          17 solution_total_molality_Fe(3): 2.68359e-14
          18 solution_total_molality_H: 111.024
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 1.25255e-06
          22 solution_total_molality_Mg: 5.39118e-05
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.0232573
          29 solution_total_molality_Ntg: 0.000483779
          30 solution_total_molality_O: 55.5626
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000535094
          33 solution_total_molality_S: 0.00512367
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 0.00512367
          36 solution_total_molality_Si: 1.35007e-11
          37 exchange_total_molality_X: 1.00304
          38 exchange_X_species_log_molality_AlOHX2: -12.7717
          39 exchange_X_species_log_molality_AlX3: -14.7645
          40 exchange_X_species_log_molality_BaX2: -4.22878
          41 exchange_X_species_log_molality_CaX2: -1.63411
          42 exchange_X_species_log_molality_FeX2: -23.1568
          43 exchange_X_species_log_molality_KX: -4.43828
          44 exchange_X_species_log_molality_MgX2: -1.95003
          45 exchange_X_species_log_molality_NaX: -0.882851
          46 exchange_X_species_log_molality_X-: 1.45465
          47 surface_total_molality_Hfo_s: 0.00501521
          48 surface_total_molality_Hfo_w: 0.0501521
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.72511
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -21.9291
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.02396
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -4.96281
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -5.29532
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.06019
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.58272
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.35109
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.07994
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.75157
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.59224
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.17424
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -8.17561
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.10048
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.4083
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7497
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.47309
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.41194
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -4.84497
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.95916
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -6.08352
          70 equilibrium_phases_moles_Calcite: 0.22819
          71 equilibrium_phases_delta_moles_Calcite: 0.000166222
          72 equilibrium_phases_moles_Dolomite: 0.184849
          73 equilibrium_phases_delta_moles_Dolomite: -9.07073e-05
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 2.77556e-17
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.53871e-05
          78 gas_phase_pressure_CO2(g): 0.0018501
          79 gas_phase_phi_CO2(g): 0.997377
          80 gas_phase_moles_Ntg(g): 0.00564371
          81 gas_phase_pressure_Ntg(g): 0.67858
          82 gas_phase_phi_Ntg(g): 0.999655
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.91133e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 1.54494e-07
          86 solid_solution_Sulfate_moles_Barite: 0.000135878
          87 calculate_value_sar: 2.97717
Cell number 8
     Density: 1.00176
     Volume:  0.199899
     Components: 
          0 H: 110.709
          1 O: 55.4672
          2 Charge: 0.000291102
          3 Al: 1.25966e-08
          4 Ba: 9.80877e-08
          5 C: 0.00628352
          6 Ca: 0.000415289
          7 Cl: 0.00119643
          8 Fe: 2.45906e-14
          9 K: 2.91577e-06
          10 Mg: 0.00036637
          11 N: 0
          12 Na: 0.0544268
          13 Ntg: 0.000477243
          14 S: 0.0241022
          15 Si: 1.40697e-11
     Selected output: 
          0 solution_ph: 8.21284
          1 solution_pe: 12.8375
          2 solution_alkalinity: 0.0063189
          3 solution_ionic_strength: 0.0752072
          4 solution_water_mass: 0.199442
          5 solution_charge_balance: 0.000291916
          6 solution_percent_error: 0.274953
          7 solution_specific_conductance: 4790.17
          8 solution_total_molality_Al: 1.26319e-08
          9 solution_total_molality_Ba: 9.8362e-08
          10 solution_total_molality_C: 0.00630109
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.00630109
          13 solution_total_molality_Ca: 0.00041645
          14 solution_total_molality_Cl: 0.00119977
          15 solution_total_molality_Fe: 2.46593e-14
          16 solution_total_molality_Fe(2): 3.63998e-25
          17 solution_total_molality_Fe(3): 2.46593e-14
          18 solution_total_molality_H: 111.019
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 2.92393e-06
          22 solution_total_molality_Mg: 0.000367394
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.054579
          29 solution_total_molality_Ntg: 0.000478577
          30 solution_total_molality_O: 55.6223
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000534963
          33 solution_total_molality_S: 0.0241696
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 0.0241696
          36 solution_total_molality_Si: 1.41091e-11
          37 exchange_total_molality_X: 1.0028
          38 exchange_X_species_log_molality_AlOHX2: -12.5968
          39 exchange_X_species_log_molality_AlX3: -14.4336
          40 exchange_X_species_log_molality_BaX2: -5.35847
          41 exchange_X_species_log_molality_CaX2: -1.63306
          42 exchange_X_species_log_molality_FeX2: -23.1556
          43 exchange_X_species_log_molality_KX: -4.43807
          44 exchange_X_species_log_molality_MgX2: -1.95648
          45 exchange_X_species_log_molality_NaX: -0.881765
          46 exchange_X_species_log_molality_X-: 1.09829
          47 surface_total_molality_Hfo_s: 0.00501398
          48 surface_total_molality_Hfo_w: 0.0501398
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -4.80041
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -21.9462
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.06983
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -4.97925
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -6.4312
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.05151
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.61168
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.35128
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -9.0507
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.7511
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.62186
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.20783
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -9.2992
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.07951
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.3837
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.7549
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.47725
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.38667
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -3.76547
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.9382
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -4.97426
          70 equilibrium_phases_moles_Calcite: 0.227999
          71 equilibrium_phases_delta_moles_Calcite: 0.000173163
          72 equilibrium_phases_moles_Dolomite: 0.184957
          73 equilibrium_phases_delta_moles_Dolomite: -0.000298954
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: 4.16334e-17
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.5552e-05
          78 gas_phase_pressure_CO2(g): 0.00186992
          79 gas_phase_phi_CO2(g): 0.997377
          80 gas_phase_moles_Ntg(g): 0.00564365
          81 gas_phase_pressure_Ntg(g): 0.678573
          82 gas_phase_phi_Ntg(g): 0.999655
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.66782e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 3.09669e-06
          86 solid_solution_Sulfate_moles_Barite: 0.000195246
          87 calculate_value_sar: 2.75693
Cell number 9
     Density: 1.00952
     Volume:  0.200112
     Components: 
          0 H: 110.741
          1 O: 55.7248
          2 Charge: 0.000549248
          3 Al: 1.29073e-08
          4 Ba: 6.92772e-08
          5 C: 0.00321349
          6 Ca: 0.00375773
          7 Cl: 0.00119643
          8 Fe: 2.48611e-14
          9 K: 8.58509e-06
          10 Mg: 0.00360561
          11 N: 0
          12 Na: 0.163192
          13 Ntg: 0.000461221
          14 S: 0.0865123
          15 Si: 2.45817e-11
     Selected output: 
          0 solution_ph: 7.7938
          1 solution_pe: 13.2608
          2 solution_alkalinity: 0.00316548
          3 solution_ionic_strength: 0.224675
          4 solution_water_mass: 0.199505
          5 solution_charge_balance: 0.000550612
          6 solution_percent_error: 0.178403
          7 solution_specific_conductance: 12979.1
          8 solution_total_molality_Al: 1.29394e-08
          9 solution_total_molality_Ba: 6.94492e-08
          10 solution_total_molality_C: 0.00322147
          11 solution_total_molality_C(-4): 0
          12 solution_total_molality_C(4): 0.00322147
          13 solution_total_molality_Ca: 0.00376707
          14 solution_total_molality_Cl: 0.0011994
          15 solution_total_molality_Fe: 2.49228e-14
          16 solution_total_molality_Fe(2): 3.1343e-24
          17 solution_total_molality_Fe(3): 2.49228e-14
          18 solution_total_molality_H: 111.016
          19 solution_total_molality_H(0): 0
          20 solution_total_molality_H(1): 0
          21 solution_total_molality_K: 8.60641e-06
          22 solution_total_molality_Mg: 0.00361457
          23 solution_total_molality_N: 0
          24 solution_total_molality_N(-3): 0
          25 solution_total_molality_N(0): 0
          26 solution_total_molality_N(3): 0
          27 solution_total_molality_N(5): 0
          28 solution_total_molality_Na: 0.163598
          29 solution_total_molality_Ntg: 0.000462367
          30 solution_total_molality_O: 55.8632
          31 solution_total_molality_O(-2): 0
          32 solution_total_molality_O(0): 0.000534797
          33 solution_total_molality_S: 0.0867271
          34 solution_total_molality_S(-2): 0
          35 solution_total_molality_S(6): 0.0867271
          36 solution_total_molality_Si: 2.46428e-11
          37 exchange_total_molality_X: 1.00248
          38 exchange_X_species_log_molality_AlOHX2: -12.2939
          39 exchange_X_species_log_molality_AlX3: -13.916
          40 exchange_X_species_log_molality_BaX2: -6.50116
          41 exchange_X_species_log_molality_CaX2: -1.63743
          42 exchange_X_species_log_molality_FeX2: -23.0762
          43 exchange_X_species_log_molality_KX: -4.43712
          44 exchange_X_species_log_molality_MgX2: -1.97718
          45 exchange_X_species_log_molality_NaX: -0.876819
          46 exchange_X_species_log_molality_X-: 0.651987
          47 surface_total_molality_Hfo_s: 0.00501242
          48 surface_total_molality_Hfo_w: 0.0501242
          49 surface_Hfo_s_species_log_molality_Hfo_sO-: -5.29115
          50 surface_Hfo_s_species_log_molality_Hfo_sOFe+: -22.0397
          51 surface_Hfo_s_species_log_molality_Hfo_sOH: -4.36097
          52 surface_Hfo_s_species_log_molality_Hfo_sOH2+: -5.07079
          53 surface_Hfo_s_species_log_molality_Hfo_sOHBa+2: -7.57178
          54 surface_Hfo_s_species_log_molality_Hfo_sOHCa+2: -3.02558
          55 surface_Hfo_w_species_log_molality_Hfo_wCO3-: -2.77376
          56 surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-: -8.33214
          57 surface_Hfo_w_species_log_molality_Hfo_wH3SiO4: -8.83197
          58 surface_Hfo_w_species_log_molality_Hfo_wHCO3: -2.71358
          59 surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2: -8.80232
          60 surface_Hfo_w_species_log_molality_Hfo_wO-: -3.4532
          61 surface_Hfo_w_species_log_molality_Hfo_wOBa+: -10.394
          62 surface_Hfo_w_species_log_molality_Hfo_wOCa+: -4.0078
          63 surface_Hfo_w_species_log_molality_Hfo_wOFe+: -22.2318
          64 surface_Hfo_w_species_log_molality_Hfo_wOFeOH: -22.8038
          65 surface_Hfo_w_species_log_molality_Hfo_wOH: -2.52302
          66 surface_Hfo_w_species_log_molality_Hfo_wOH2+: -3.23284
          67 surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2: -3.04583
          68 surface_Hfo_w_species_log_molality_Hfo_wOMg+: -2.86649
          69 surface_Hfo_w_species_log_molality_Hfo_wSO4-: -4.05385
          70 equilibrium_phases_moles_Calcite: 0.227814
          71 equilibrium_phases_delta_moles_Calcite: 0.000567347
          72 equilibrium_phases_moles_Dolomite: 0.185283
          73 equilibrium_phases_delta_moles_Dolomite: -0.000512894
          74 equilibrium_phases_moles_Goethite: 0.1
          75 equilibrium_phases_delta_moles_Goethite: -4.16334e-17
          76 gas_phase_volume: 0.2
          77 gas_phase_moles_CO2(g): 1.88397e-05
          78 gas_phase_pressure_CO2(g): 0.00226522
          79 gas_phase_phi_CO2(g): 0.997374
          80 gas_phase_moles_Ntg(g): 0.00564342
          81 gas_phase_pressure_Ntg(g): 0.678543
          82 gas_phase_phi_Ntg(g): 0.999654
          83 kinetic_reaction_moles_K-feldspar: 0.436
          84 kinetic_reaction_delta_moles_K-feldspar: -2.53844e-10
          85 solid_solution_Sulfate_moles_Anhydrite: 4.64636e-05
          86 solid_solution_Sulfate_moles_Barite: 0.000199654
          87 calculate_value_sar: 2.69287
BMI PhreeqcRM
GetEndTime:     121
GetTimeUnits:   seconds
GetTimeStep:    60
SetValues variables:
  0  Concentrations
     Type:  double
     Units: mol/L
  Itemsize: 8
    NBytes: 2560
  1  DensityUser
     Type:  double
     Units: kg L-1
  Itemsize: 8
    NBytes: 160
  2  FilePrefix
     Type:  std::string
     Units: prefix
  Itemsize: 18
    NBytes: 18
  3  NthSelectedOutput
     Type:  int
     Units: id
  Itemsize: 4
    NBytes: 4
  4  SaturationUser
     Type:  double
     Units: unitless
  Itemsize: 8
    NBytes: 160
  5  Time
     Type:  double
     Units: s
  Itemsize: 8
    NBytes: 8
  6  TimeStep
     Type:  double
     Units: s
  Itemsize: 8
    NBytes: 8
  7  Porosity
     Type:  double
     Units: unitless
  Itemsize: 8
    NBytes: 160
  8  Pressure
     Type:  double
     Units: atm
  Itemsize: 8
    NBytes: 160
  9  SelectedOutputOn
     Type:  bool
     Units: bool
  Itemsize: 1
    NBytes: 1
  10  Temperature
     Type:  double
     Units: C
  Itemsize: 8
    NBytes: 160
GetValues variables:
  0  ComponentCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  1  Components
     Type:  std::vector<std::string>
     Units: names
  Itemsize: 6
    NBytes: 96
  2  Concentrations
     Type:  double
     Units: mol/L
  Itemsize: 8
    NBytes: 2560
  3  DensityCalculated
     Type:  double
     Units: kg L-1
  Itemsize: 8
    NBytes: 160
  4  ErrorString
     Type:  std::string
     Units: error
  Itemsize: 0
    NBytes: 0
  5  FilePrefix
     Type:  std::string
     Units: prefix
  Itemsize: 18
    NBytes: 18
  6  Gfw
     Type:  double
     Units: g mol-1
  Itemsize: 8
    NBytes: 128
  7  GridCellCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  8  SaturationCalculated
     Type:  double
     Units: unitless
  Itemsize: 8
    NBytes: 160
  9  SelectedOutput
     Type:  double
     Units: user specified
  Itemsize: 8
    NBytes: 14080
  10  SelectedOutputColumnCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  11  SelectedOutputCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  12  SelectedOutputHeadings
     Type:  std::vector<std::string>
     Units: names
  Itemsize: 47
    NBytes: 4136
  13  SelectedOutputRowCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  14  SolutionVolume
     Type:  double
     Units: L
  Itemsize: 8
    NBytes: 160
  15  Time
     Type:  double
     Units: s
  Itemsize: 8
    NBytes: 8
  16  TimeStep
     Type:  double
     Units: s
  Itemsize: 8
    NBytes: 8
  17  CurrentSelectedOutputUserNumber
     Type:  int
     Units: id
  Itemsize: 4
    NBytes: 4
  18  Porosity
     Type:  double
     Units: unitless
  Itemsize: 8
    NBytes: 160
  19  Pressure
     Type:  double
     Units: atm
  Itemsize: 8
    NBytes: 160
  20  SelectedOutputOn
     Type:  bool
     Units: bool
  Itemsize: 1
    NBytes: 1
  21  Temperature
     Type:  double
     Units: C
  Itemsize: 8
    NBytes: 160
  22  Viscosity
     Type:  double
     Units: mPa s
  Itemsize: 8
    NBytes: 160
  23  calculate_value_sar
     Type:  double
     Units: unknown
  Itemsize: 8
    NBytes: 160
  24  equilibrium_phases_delta_moles_Calcite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  25  equilibrium_phases_delta_moles_Dolomite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  26  equilibrium_phases_delta_moles_Goethite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  27  equilibrium_phases_moles_Calcite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  28  equilibrium_phases_moles_Dolomite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  29  equilibrium_phases_moles_Goethite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  30  exchange_X_species_log_molality_AlOHX2
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  31  exchange_X_species_log_molality_AlX3
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  32  exchange_X_species_log_molality_BaX2
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  33  exchange_X_species_log_molality_CaX2
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  34  exchange_X_species_log_molality_FeX2
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  35  exchange_X_species_log_molality_KX
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  36  exchange_X_species_log_molality_MgX2
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  37  exchange_X_species_log_molality_NaX
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  38  exchange_X_species_log_molality_X-
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  39  exchange_total_molality_X
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
  40  gas_phase_moles_CO2(g)
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  41  gas_phase_moles_Ntg(g)
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  42  gas_phase_phi_CO2(g)
     Type:  double
     Units: atm-1
  Itemsize: 8
    NBytes: 160
  43  gas_phase_phi_Ntg(g)
     Type:  double
     Units: atm-1
  Itemsize: 8
    NBytes: 160
  44  gas_phase_pressure_CO2(g)
     Type:  double
     Units: atm
  Itemsize: 8
    NBytes: 160
  45  gas_phase_pressure_Ntg(g)
     Type:  double
     Units: atm
  Itemsize: 8
    NBytes: 160
  46  gas_phase_volume
     Type:  double
     Units: L
  Itemsize: 8
    NBytes: 160
  47  kinetic_reaction_delta_moles_K-feldspar
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  48  kinetic_reaction_moles_K-feldspar
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  49  solid_solution_Sulfate_moles_Anhydrite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  50  solid_solution_Sulfate_moles_Barite
     Type:  double
     Units: mol
  Itemsize: 8
    NBytes: 160
  51  solution_alkalinity
     Type:  double
     Units: eq kgw-1
  Itemsize: 8
    NBytes: 160
  52  solution_charge_balance
     Type:  double
     Units: eq kgw-1
  Itemsize: 8
    NBytes: 160
  53  solution_ionic_strength
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
  54  solution_pe
     Type:  double
     Units: -
  Itemsize: 8
    NBytes: 160
  55  solution_percent_error
     Type:  double
     Units: -
  Itemsize: 8
    NBytes: 160
  56  solution_ph
     Type:  double
     Units: -
  Itemsize: 8
    NBytes: 160
  57  solution_specific_conductance
     Type:  double
     Units: uS cm-1
  Itemsize: 8
    NBytes: 160
  58  solution_total_molality_Al
     Type:  double
     Units: mol kgw-1
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  59  solution_total_molality_Ba
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
  60  solution_total_molality_C
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
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  61  solution_total_molality_C(-4)
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
  62  solution_total_molality_C(4)
     Type:  double
     Units: mol kgw-1
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  63  solution_total_molality_Ca
     Type:  double
     Units: mol kgw-1
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  64  solution_total_molality_Cl
     Type:  double
     Units: mol kgw-1
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  65  solution_total_molality_Fe
     Type:  double
     Units: mol kgw-1
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  66  solution_total_molality_Fe(2)
     Type:  double
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  67  solution_total_molality_Fe(3)
     Type:  double
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  68  solution_total_molality_H
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     Units: mol kgw-1
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  69  solution_total_molality_H(0)
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  70  solution_total_molality_H(1)
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  71  solution_total_molality_K
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  72  solution_total_molality_Mg
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  73  solution_total_molality_N
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  74  solution_total_molality_N(-3)
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  75  solution_total_molality_N(0)
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  76  solution_total_molality_N(3)
     Type:  double
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  77  solution_total_molality_N(5)
     Type:  double
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  78  solution_total_molality_Na
     Type:  double
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  79  solution_total_molality_Ntg
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  80  solution_total_molality_O
     Type:  double
     Units: mol kgw-1
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  81  solution_total_molality_O(-2)
     Type:  double
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  82  solution_total_molality_O(0)
     Type:  double
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     Type:  double
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     Type:  double
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  86  solution_total_molality_Si
     Type:  double
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  88  surface_Hfo_s_species_log_molality_Hfo_sO-
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     Type:  double
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     Type:  double
     Units: log mol kgw-1
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  91  surface_Hfo_s_species_log_molality_Hfo_sOH2+
     Type:  double
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  92  surface_Hfo_s_species_log_molality_Hfo_sOHBa+2
     Type:  double
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  93  surface_Hfo_s_species_log_molality_Hfo_sOHCa+2
     Type:  double
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  94  surface_Hfo_w_species_log_molality_Hfo_wCO3-
     Type:  double
     Units: log mol kgw-1
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  95  surface_Hfo_w_species_log_molality_Hfo_wH2SiO4-
     Type:  double
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  96  surface_Hfo_w_species_log_molality_Hfo_wH3SiO4
     Type:  double
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  97  surface_Hfo_w_species_log_molality_Hfo_wHCO3
     Type:  double
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  98  surface_Hfo_w_species_log_molality_Hfo_wHSiO4-2
     Type:  double
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     Type:  double
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  100  surface_Hfo_w_species_log_molality_Hfo_wOBa+
     Type:  double
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  101  surface_Hfo_w_species_log_molality_Hfo_wOCa+
     Type:  double
     Units: log mol kgw-1
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  102  surface_Hfo_w_species_log_molality_Hfo_wOFe+
     Type:  double
     Units: log mol kgw-1
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  103  surface_Hfo_w_species_log_molality_Hfo_wOFeOH
     Type:  double
     Units: log mol kgw-1
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    NBytes: 160
  104  surface_Hfo_w_species_log_molality_Hfo_wOH
     Type:  double
     Units: log mol kgw-1
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    NBytes: 160
  105  surface_Hfo_w_species_log_molality_Hfo_wOH2+
     Type:  double
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  106  surface_Hfo_w_species_log_molality_Hfo_wOHSO4-2
     Type:  double
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  107  surface_Hfo_w_species_log_molality_Hfo_wOMg+
     Type:  double
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  108  surface_Hfo_w_species_log_molality_Hfo_wSO4-
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  109  surface_total_molality_Hfo_s
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  Itemsize: 8
    NBytes: 160
  110  surface_total_molality_Hfo_w
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
BMI PhreeqcRM
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    NBytes: 160
  107  surface_Hfo_w_species_log_molality_Hfo_wOMg+
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  108  surface_Hfo_w_species_log_molality_Hfo_wSO4-
     Type:  double
     Units: log mol kgw-1
  Itemsize: 8
    NBytes: 160
  109  surface_total_molality_Hfo_s
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
  110  surface_total_molality_Hfo_w
     Type:  double
     Units: mol kgw-1
  Itemsize: 8
    NBytes: 160
PointableValues variables:
  0  ComponentCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  1  Concentrations
     Type:  double
     Units: mol/L
  Itemsize: 8
    NBytes: 2560
  2  DensityCalculated
     Type:  double
     Units: kg L-1
  Itemsize: 8
    NBytes: 160
  3  Gfw
     Type:  double
     Units: g mol-1
  Itemsize: 8
    NBytes: 128
  4  GridCellCount
     Type:  int
     Units: count
  Itemsize: 4
    NBytes: 4
  5  SaturationCalculated
     Type:  double
     Units: unitless
  Itemsize: 8
    NBytes: 160
  6  SolutionVolume
     Type:  double
     Units: L
  Itemsize: 8
    NBytes: 160
  7  Time
     Type:  double
     Units: s
  Itemsize: 8
    NBytes: 8
  8  TimeStep
     Type:  double
     Units: s
  Itemsize: 8
    NBytes: 8
  9  Porosity
     Type:  double
     Units: unitless
  Itemsize: 8
    NBytes: 160
  10  Pressure
     Type:  double
     Units: atm
  Itemsize: 8
    NBytes: 160
  11  SelectedOutputOn
     Type:  bool
     Units: bool
  Itemsize: 1
    NBytes: 1
  12  Temperature
     Type:  double
     Units: C
  Itemsize: 8
    NBytes: 160
  13  Viscosity
     Type:  double
     Units: mPa s
  Itemsize: 8
    NBytes: 160
