------------------------------------
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 17.776 Seconds.
--------------------------------

File prefix:                                        AdvectBMI_f90_test
Number of grid cells in the user's model:                 40
Number of components for transport:                       17
       H2O        18.0160
         H         1.0080
         O        16.0000
    Charge         1.0000
        Al        26.9815
        Ba       137.3400
         C        12.0111
        Ca        40.0800
        Cl        35.4530
        Fe        55.8470
         K        39.1020
        Mg        24.3120
         N        14.0067
        Na        22.9898
       Ntg        28.0134
         S        32.0640
        Si        28.0843

Time:                   10
Chemistry cell:         0
Grid cell(s) (0-based): 0 20 
------------------------------------
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 ...

WARNING: Maximum iterations exceeded, 200

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

WARNING: Trying increased tolerance 1e-14 ...

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  -2.638e-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  =  48 (350 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 22.325 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         1
Grid cell(s) (0-based): 1 21 
------------------------------------
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   1.267e-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)  =   3.575e-08
 Percent error, 100*(Cat-|An|)/(Cat+|An|)  =   0.00
                               Iterations  =  50 (151 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 21.736 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         2
Grid cell(s) (0-based): 2 22 
------------------------------------
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)  =  -8.176e-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 21.774 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         3
Grid cell(s) (0-based): 3 23 
------------------------------------
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  -2.165e-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 21.799 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         4
Grid cell(s) (0-based): 4 24 
------------------------------------
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 21.829 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         5
Grid cell(s) (0-based): 5 25 
------------------------------------
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 21.848 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         6
Grid cell(s) (0-based): 6 26 
------------------------------------
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 21.876 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         7
Grid cell(s) (0-based): 7 27 
------------------------------------
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 21.9 Seconds.
------------------------------

Time:                   10
Chemistry cell:         8
Grid cell(s) (0-based): 8 28 
------------------------------------
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  =  22
                                  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 21.926 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         9
Grid cell(s) (0-based): 9 29 
------------------------------------
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 21.513 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         10
Grid cell(s) (0-based): 10 30 
------------------------------------
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   3.683e-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  -3.337e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.012e-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     6.41e-11     7.57e-01
                                 Barite     2.00e-04     2.87e-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 21.557 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         11
Grid cell(s) (0-based): 11 31 
------------------------------------
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   3.671e-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  -3.337e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.013e-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     6.43e-11     7.57e-01
                                 Barite     2.00e-04     2.88e-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 21.592 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         12
Grid cell(s) (0-based): 12 32 
------------------------------------
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   3.722e-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  -3.337e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.012e-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     6.43e-11     7.57e-01
                                 Barite     2.00e-04     2.88e-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 21.632 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         13
Grid cell(s) (0-based): 13 33 
------------------------------------
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   4.582e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.685e-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  -3.329e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.008e-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     6.37e-11     7.57e-01
                                 Barite     2.00e-04     2.85e-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 21.666 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         14
Grid cell(s) (0-based): 14 34 
------------------------------------
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   4.582e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.641e-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  -3.331e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.009e-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     6.36e-11     7.57e-01
                                 Barite     2.00e-04     2.85e-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 21.698 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         15
Grid cell(s) (0-based): 15 35 
------------------------------------
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   4.582e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.683e-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  -3.333e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.010e-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     6.39e-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 21.729 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         16
Grid cell(s) (0-based): 16 36 
------------------------------------
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   3.671e-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  -3.339e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.014e-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     6.45e-11     7.57e-01
                                 Barite     2.00e-04     2.88e-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 21.497 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         17
Grid cell(s) (0-based): 17 37 
------------------------------------
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   3.722e-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  -3.337e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.012e-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     6.42e-11     7.57e-01
                                 Barite     2.00e-04     2.87e-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 21.533 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         18
Grid cell(s) (0-based): 18 38 
------------------------------------
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   4.582e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.685e-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  -3.329e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.008e-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     6.37e-11     7.57e-01
                                 Barite     2.00e-04     2.85e-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 21.574 Seconds.
--------------------------------

Time:                   10
Chemistry cell:         19
Grid cell(s) (0-based): 19 39 
------------------------------------
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   4.582e-12
Ntg(g)            -0.17   6.785e-01  1.000   5.643e-03   5.643e-03   3.681e-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  -3.329e-10
Dolomite          0.00   -17.00    -17.00    1.858e-01   1.858e-01   1.008e-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     6.36e-11     7.57e-01
                                 Barite     2.00e-04     2.85e-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 21.609 Seconds.
--------------------------------

      pH      CaX2     KX       NaX       SAR
