




NWC TP 6037
.  .'	i'



I 4


Theoretical Computations of Equilibrium Compositions, Thermodynamic Propertiea, and Performance Characteristics of
Propellant Systems


by  .
D. R. Cruise
Ordnn  Systems  Department


APRIL 1979


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       NAVAL WEAPONS CENTER CHINA LAKE" CALIFORMIA 93111


roved fotpublic rel:
di,trlbutlon unlimited.








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Naval	Center
AN	ACTIVITY Cl= TH:	NAAL.	(ERIAL  .COIVIIVIAl'O



FOREWORD
     This report is un updai:e of a previous report by the same title (NAVWEPS 7043, NOTS TP 2934) published in 1960. Since that tirtle the metl:\odology has been changed; the. usage has been changed; new ai;plications huv,:: been devised; data bank have been established; and automated usage of data banks has been established. A few minor aspects of the original report have remained unchanged.
This work  wi;s performed  during fiscal  year 1978 under AIRTASK  A03W3300/0088/
8F31300000 and was checked for technical accuracy by Mr. Stuart Breil.




Approved br
C. L. SCHANIEL, Head
Ordnance Systems Department
15 March 1979'
Released for publication by
R. M. HILLYER
Technical Director


Under authority of
W. L. HARRIS
RAdm., U.5- Navy
C:C,mmander	"





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.. TeclmlClll Information Department


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U) Theoretical Computations of Equilibrium Compositions, Thermo- ic Properties, and Perfomumce Characteristics of Prope!iant Systems, R Cruise. China Lake, Calif., Naval Weapons Center, April 1979,
104 pp	C TP 6037, publicatk1n UNCLASSIFIED.)
    (  his report summarizes the methods and equations used in a Naval Weapons Center computer program called the NWC thermochemical program or the propellant evaluation program (PEP). The program is used to calculate high-temperature thermodynamic prop, rties and performance characteristics of propellant systP.ms, and it will handle a maximum of 12 chemical elements and 200 combustion products. Some of the parameters that can be computed with this program are flame temperaturn, chemical composition, enthalpy, entropy, specific heat ratio and mo1e..:ular weight of both the combustion chamber and exhaust, fro:r.en and shifting equilibrium, specific impulse, boost velocities, thrust coefficient, characteristic velocity, and exhaust gas velocity. The assumptions made, the limitations impo:.ed, and the input data required for the i.olution of a specific problem by use of this program are discussed in detail. Tpe appendices provide a working guide for those using the program and give examples of computer inputs.






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NWC TP 6037








CONTENTS


Introduction ...........,. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
3
Background . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
3
NWC Program Development . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
3
General Development of Thermochemical Programs . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
3
Organization of Report . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5
Basis Optimization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
5
Procedures for Determining Equilibrium . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
7
Deletio11 of Condensed Ph:-,ses . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9
Numerical Examples of Basis and Equilibrium Calculations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
10
The Work of S111ith and Mis:;en . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
15
Notes on the Propellant Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
16
Estimation l'f Noz;,Je Design Parameters . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
18
Boost      Vcludty....................................................................
21
Appendices:

A.	Input  Instructions for the Propellant  Evaluation  Program  (PEP)....................
23
B.	PEP Teletype Usage . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
25
C.	Comments on the PEP Output.. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
27
D.	Brief Descriptions of PEP Subroutines . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
29
E.	ldrntlfication of Variables in Common Blocks . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
33
f.	Automated Input of Ingredient Data . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
35
G.	PEP AUXiliary Program . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
55
H.	Listing of PEP Program . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
65
I.	Listing of the XEP Subroutineii . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
9 I
J.	Subroutine Version of PEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
99
Nomenclature	103








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NWC TP 6037

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INT ODUCTION

     The Naval Weapons Center has developed a computer program, often referred to as the NWC thermochemical program or the propelh111t evaluation program (PEP), for the calculation of high temperature thurmodynamic properties and pertormance char:icteristics of ropellant systems. This report is :i summary of the methods and equations used in the program, which will hand!c a maximum of 12 chemical elements and 200 combustion products. Flame temperature, chemical composition, cnthal py, entropy, specific heat ratio and molecular weight of both the combustion chamber and exhaust, frozen and shifting equilibrium, specific impulse, boost vehcities, thrust coefficient, characteristic velocity, and exhaust gas velocity can be cc-inputed w:th this program. The assumptions made, the limitations imposed, and the input data required for the solution of a specific problem by use of this program are discussed in detail. The appendices provide a working guide for those using the progra111 and give examples of computer inputs.

BACKGROUND

NWC Program Development
     The NWC thermochemical program did not come suddenly into being. As early as 1951 thermochemical computations were performed at NWC (for111erly NOTS) when Dr. W. S. McEwan and
S. Skolnik developed and reported an approach using an analog computer. Dr. D.S. Villars reported his reaction-adjustment rnethod in 1960. The same ye-ar H. N. Browne, Jr., completed a program using a method reported by NASA. Mary Williams and Dr. Howard Shomate contributed toward the automation and building of un accurate and usable data bank. In 1964 the author combined some of the ideas of Browne and Yillars (who had never collaborated with each other) into the outer skeleton of the Browne program. At the same time a new method of handling condensed species put an end to convergence failures. In I 968 some important suggestions were made by Professors W. R. Smith and R. W. Misscn, who had developed their own program at the University of Toronto usinc the reaction-adjustment method. (A later section of this report is devoted to a discussion of their w0rk.) Since that time the NWC program has continued to evolve in the direction of data automation and new applications.

General Development of Thermochemical Programs
     In the past 20 years the computation hy high-speed digital computers of high-temperature chemical equilibria has become one of the important applications of computers. It is a challenging application, because of the large sets uf nonlinear algebraic equatk,ns that must be simultaneously solved :ind because of the necessity of devising computer codes general enough to handle any particular chemical system!. There have been three historic approaches to the probie111.

     1 Western States Section of the Combustion Institute. l'roceetii11xs of ,he First Co11ferc11ce 011 Kinetics, Hq11ilibrio 011d Performance of High Tem1,eroture Systems. cJ. by C. Bahn anJ E. Zuckowsky. Washington. D.C.. Butterworths Scientific Publil:ations, 1960.

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NWC TP 6037

     One .ipproach, presentetl by White, et al.. is directly motivated by the free-energy criteriot for chemical equilihrium2 TI1e resulting numerical procedure is the method of steepest descent, which is a general method for the numerical solution of nonlinear algebraic equations.
     The second approar.h, prescmted oy Brinkley3, uses equili1'rium constants and for purposes of background will be described in ome detail. First, a "basis" is chosen. A basis is a subset of molecular species (also r:.illed components)4. It contains as many species as there are chemical elements, and from it all other species may be formed by chemical reaction. A set of equations then establishes the equilibrium relationship of each nonbasis species to the basis. Another set of equations establishes the gram-atom amount of each chemical element. Both sets of equations are solved simultaneously by the Newton-Raphson method, which is a general method for the numerical solution of nonlinear alge!,raic equations.
     lnternstini; variations in the latter method are presented by Huff et al.5 and Browne6. The latter, in particular, introduces the concept of the "optimized" basis, in which the components are present ir. the greatest possible molar amounts. Browne's computer code for the equilibrium-constant approach was successfully used from 1960 to 1964 by the Naval W<:apons Center, then known as the
U.S. Naval Ordnance Test Station (NOTS).
     The reaction-adjustment method uf Villars is the third approach,78 This, too, was a method suggested early in the de;elopment of computer codes but not widely used before the development of the present program. Its theory is simple: The chemical system is divided into a number of subsystems, each relating a nonbasis species to the basis, The subsystem with the greatest discrepancy in its equilibrium relationship is corrected stoichiometrically. In this way the gram-atom amounts (chosen correctly at the start) do not change, The reason for convergence is clear: Each iteration is equivalent to arresting all possible reactions but one and allowing that one to proceed according to the law of mass action. This possible (though not plausible) kinetic modei can only lead in the direction of equilibrium.
     In its computational aspects the method presented by Villar has both advantages and disadvantages. Unlike the former methods, it does not require the inversion of large matrices. TI1is simplifies the coding and reduces the required computer memory. On the other band, the speed of the method is greatly dependent on the choice of the basis. It is admittedly quite slow wh{'n components arc chosen that are present only in small molar amounts.


2w. B. Whitu, S. M. Johnson, and G.  B. Dantzig. "C'hcmkal  Equilibrium  in Complex Mixtures." J. Che,11.
Phys., \'ol.28 (May 1958). pp.751-5.
3s. R. Brinkley, !r. "Calculation of the Equihbrium ('.omposition of Systems of Many Constituents," J. Chem.
Phys.. Vol. 15 (1947), pp. 107-10.
411. J.  Kandincr  and S. R.  Brinkley.   Cakulation  of Complex  Equilibrium  Relations." /lrd. Eng. Cllem.
Vol. 42 (1950), pp. 850-5.
     5Notlonal Advisory Committee on Aeronautics. (ie11eral Method and 1hermody11amic Tables for Computation of Equilibrium Co111positio11 and Temperature of Chemical Reactions. by V. N. Huff, S. Gordon. and V. E. Morrell. Wu.shingt.on, D.C.. NACA 1951. (NACI\ Rcport 1037.)
      6Naval Ordnam:c Test Station. The Theor1tical Computation of Equilibrium Compositio11s. Thrrmody11amic Properties u11d Perfo,ma11ce Chcructcristics of l'ropella111 Sysrems, by H. N. Browne Jr., M. M. Williams. and
D.R. Cruise. China Lake, Calif., NOTS, 1960. (NAVWEPS Report 7043. NOTS TP 2434, publkation UNCLASSIFIED.)
7n. S. Villars. "A Method of 3ucctlssivc Approximations for Computing Combustion Equilibria on a :Ugh
Speed Digital Computer," J. Chem. Phys., Vol. 63 (1959). pp. 521-5.
80. _S. Villars. "Computation of Complicat Combustion Equilibria on u High-Speed Digital Computer," in
Proceedi111,,J of the Fim Co11fere11ce 011 Kinetics. F,:1ilibria and Performance of Hixh Tcmperarure Systems, ed. by
G. 13ahn and E. Zuckowsky. Washington. D.C'.. Butterworth Scientific Publications. 1960.

4



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NWC TP 6037

     It was decided to try Villars' method and to choose an optimum basis cy Browne's method. The automatic choosing of the optimum basis is not difficult to code, and it serves two purposes: It greatly speeds convergence, and it relieves the user of the l,urcen of choosing the basis himself.


ORGANIZATION OF REPORT

     The next three sections of this report describe the combination of Villars' and Browne's methods for computing a chemical composition at a given pressu1e and temperature. Tiae description is divided into three parts. The first part present in detail the basis optimization technique usr d, which differs only slightly from that reported by Browne. The second part presents the procedures for determining cquilibriu,n. which follow essentially the method of Villars, except for some suitable modifications to increas computing speed. The third part presents certain manipulations with condensed phases that in rease the generality of the method. The remaining five sections describe variot. aspects of the method. For a concise presentation, the procedures are described in the notation of linear algebra.
The appendices describe how to run the program on the computer.


BASIS OPTIMIZATION

     Consider a system which contains S chemica! elements anc; N molecular species such that N is grcatea than S. Relating the species to the clements is a molecular composition matrix C. Herc the individual clements "ik state how many atoms of the kth clement arc contained in a molecule of the ith species.
Let any arbitrnry choice of S molecular species be denoted

i(j)	

where the subset of i's chosen is considered io be a function of a dummy index j. A basis is formed by i(j) if and only if the following relationship exbts:

	 (I)

where the vertical bars denote the determinant of the 1:-,atrix B am! where the clements of B arc
<lefined as follows:

	 (2)

Equation 2 involves three ind xes, i, j, and k, where i is not independent because of its functional relationship to j. This equation describes th	formation of the square basis matrix B by extracting
some of the rows of the lar 6cr, composition matrix (, namely those rows corresponding to the chosen species.



5






NWC TD 6037

     The optimization problem requires that i(j) be chosen to form a basis anri that the corresponding molar amounts "i(j) be as large as possible. This an be done :,y a process of trial and error. Fir3t the molecular species must be so sorted that the molar amounts :ire in descending order.
Here the speck subscript i becomes itself a function of a subscript m, such that

	 (3)
     The basis is now found as follows. First i1 is chosen to be the first basis speci_es and the il st row of the C matrix is put into the first row of tile B matrix. Next the j and m indexes are set to the value 2. The third step is to test im as an acceptable basis species. This is done by inserting the i111th row of the C matrix into the jth row of the thus far incomplete B matrix. If there is linear dependence among the rows of the incomplete B matrix, the Lest fails. and the m index is increased
by unity. If there is no linear dependence, i111becomes the jth basis species, which is to say, i(j) and both the j and Ill indexes are in reased by unity. Frorn here the process returns to the third step
until i(S) is Jetertnincd.
Browne established linear dependence by the following relationship:

	 (4)

where T denotes transposition and Bilu: is the incomplete B matrix. However, it was found that tbe test could be performed much faster by using the Gram-Schmidt construction. This construction is expressed as follows:


(5)





where b2k n.:places th element bRk and 11 and  are dummy ind::xes. If all elements of the jth rnw are 1ero after the construction, there is linear dependence. and the test fails. The un:lerlying theory of linear dependencr and the Gr:un-Schmidt construction are presented in Sto119 and other texts <.m linear algebra.
     The complete B matrix is determined at the end of the optimization process, and the v matril< of reaction coefficients is expressed

	 (6)

Equilibrium constants may then be computed from the clements of the v matrix as follows:


(7)


where K; is the standard Gibbs free energy of the ;1h spel.!ies at the giv n temperature T.

9R. Stoll. Li11ear Algebra a11d Matrix Theory. New York. McGraw-Hill, 1952. Chapter 8, especially section 8.7.

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NWC TP 6037

PROCEDURES FOR DETERMINING EQUILIBRIUM

     The equilibrium procedure requires tlu,t a first estimate of the f'4uilibrium composition be given. This estimate need not closely approximate the final solution, hut it mus! express the d,sired gram-atom amount of each chemical element. This expression can be accomplished in many ways. One way, easy to code, is to set the molar arrount of one monatomic species of each chemical element to the desired gram-atom amount, then set the molar amounts of the rest of the species at zero (or at negligibly small values). This particular way requires that the monatomic species apprar in the formulation.
     The general itera ive procedure assumes that the gram-atom amounts arc correct and that the optimum basis has been chosen for the current estimate of the molar amounts. The reaction coefficient matrix, ;1, and the array of equilibrium constants, K;, arc therefore available from Equations 6 and 7. A pass is made through the reaction (nonbasis) species to determine whether the proper equilibrium relationships arc met. If not, the molar amounts, 11;,  arc stoichiomc:rically
corrected. 111e basis is again optimized whenever the current basis is no longer optimum. The details are described below using the conventions of Prigogine I 0
The chemical reaction which yields the ith reaction species from the basis may be written as


Es
j=l



V;/U)-+ i


(8)


therefore, :1 stoichiometric change in the extent of reaction, .l , causes the following :;ltera,ions in Gomposition.




III'(J') ::: 11I (J)  ,,t/./',

(9)

(10)


where the primed n; denotes the molar amounts after the change. This chunge, by definition, does not alter the gram-atom amount of any chemical element.
     Basis optimization guarantees that n; is smaller than any of the "fi) in the basis for which vii =/:. 0. In actuality most reaction species are smaller in molar amount by 'many orders of magnitude than the basis species from whkh they arc formed. The gazeous species more tlrnn two order of magnitude smaller arc arbitrarily classified as minor species, and the res! of the nonbasis species, including condensed species of any molar amount, are classified as major &pecics.
The correct equilibrium relationship for the ith reaction is expressed as
s

- E 'Yi(j) vii Qn (Ani(j)) + ,; l!n (A11;) == n  K;
j=\

( 11)





     101. Prigoginc and R. Dcfay. Chemical Thcrmody11amics, translated by D. Everett. London Longma11;, t;rccn and Co., I 954.

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NWC TP 6037

where the phase parameter 'Yi t:1kes the value unity if the ith species is a gas and the value ;:ero if it is condensed, and

where P is the given pressure. If the current molar guesses are incorrect, the terms on the left wili equal some value other than Q11 Ki and are denoted 'b1 Qi" The iterative procedure obviously rnust adjust the values of "i un:il the values of Qi approach those> of Ki within a specified tolerance. Tht' log of tl1e equilibrium eonstan t may be di fferen tiatcd with rcsper:t to the reaction parameter (assuming A to be constant), yielding


(12)


     An estimate of the stoichiometric correction for a major species is obta,ned by applying Newton's method of Iocatiug roots, which is expressed 1iy the following approximate form of Equation 11

( 13)


Equations 9 and IO are then applied. (In practice, L\ is not allowed to take values leading to negative 11;-) All major species arc corrected hy this method during the iteration pass. This differs from  the  method  used  by  Villars, who  1pplied  the  correction  only  where  the  discrep
ancy I Q11 Ki  'bt Qi I was greatest. The moditicaticn is justified for two reasons-(!) little addition.ii
computing time is required to actually make the correction ufter the discrepancy is determined, and
(2) the basis optimization has minimized the interaction effect that a given correction has on the other equilibrium relationships.
An estimate of the stoichiometric correction for minor species is obtained as follows:


II I
D.f

;>< /1, (K ,/Q.)
I	I	I
= 11l!  fl, I

(14)

(IS)

Equation IO is then applied. This approach assumes that the error in Ki is contained e11tirely in the value of ni' TI1is i nearly true for minor species, be!'!ause a large r':'lativl" change in n; is accomplished by a small Li , and there is no appreciable change in the basis. This separate ana1.ysis of minor spcc.;cs also differs frcm that of Villars. Again there are advantages. Equations 14 and 15 require less computinB time than Equation 13. Then, too, the former equatio11s compute the molar amounts of the minor species to a high degree of accuracy (four or more significant decimal places) even when the relati-te molar amounts arc quite small (e.g., 10-10 or 10-20), (This is useful in some applications invL,lving ionic species.) It was also found that computer time is saved by correcting the minor sp2cies only on every fourth iteration pass, unless ,;onvergence is attained among the major species in the meantime. The variable A, denned above, is computed on.::e at the start of every iteration pass.


8

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NWC TP 6037


     Convergence wa5 considered to be attained when all binding equilibdum relationships passed the following tests:
I-

( major species)

( minor spccies)

(I 6)

(17)


However, not all equilibrium relationships are bincling. This is discussed in the t,ext scdion.



DELETION OF CONDENSED PHASES


     The formulation of the chemical e4uilibrium problem, as usually presented, is not general encugh to completely describe the behavior of condensed phases. To overcome this weakness special procedures must be used. The following two procedures are p=:1rticularly suited to the method of determining equilib.-ium presented above.
     When the computed amount of a condensed species becomes negligibly small (say, 10-6) and Qn rf  11 Qi is negative, no corrcc..tion is applied, and the equilibrium relationship is no longer binding. In this way a ph..ise is deleted and a degree of freedom is gained in accordance with the phase rvlc 11,
     When a reactiu,1 ,,en, .; entirety among eondcnsed species, the denominator in Equation I 3 is zero. In this situation the phase rule states ti.at at least one of the involved species cannot be present in ariy molar amount (if we a1e free to specify pressure and tetnperature). The situation is handled by ignoring Equation 13 and determining u value of  that takes the sign of \:'/1 - - Qn Qi and that has a magnitude not leading to negativ..: molar amounts when Equations 9 and 10 are aopiied. This is symbolicall) expressed aJ



In this manner the molar amnunt of at least one condensed species is reduced to zero.
     When these procedures were included in the computer code, correct solutions were obtained even in extreme!y difficult cases. !n fact, correct solutions can be obtained where no gas phase is present.






I I A. Findlay. Phase Rule. New Yurk, '1over. 1951.


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NWC TP 6037

NUMERICAL EXAMPLES OF BASIS AND EQU!LlBRIUM CALCULATIONS

     Conslde, a system co11taining 1 gram- atom of carbon and 2 gram-atoms of oxygen. The following combustion species may be chosen ar.d associated with the composition matrix shown below:

i	Species		Q
('	ft	0

2 C3
3 0
4 02
5 co
6 CO2
7 C(graphite)

3	0
0
0	2	= C (composition matrix)
.!
2
0


     One way to choose the iPitial composition guess is to set the monatomic gases to the desired gram-atom amounts and the rest of the :ipccics to zero as follows:

Species	!!1

('

1.0
C3
2
.0
0
3
2.0
02
4
.0
20
5
.0
CO2
6
.0
((graphite)
7
.0

Obviously the best basis for these composition valties is:

Species
C


-i	i(j)

0	2	3
for these are (he species in greatest concentratio11 from which all other species may be formed. This is the basis the program would use on the first iteration.
For a more interesting example of a basis calculation. let us say that at a later iteration the current composition guesses are:


Species
C
C3	2
0	3
02	4
co	s
CO2	6
('(graphite)	7

.!!i
0.4874996
0.0045000
0.5005000
0.5000000
0.4985000
0.0005000
0.0000004


1G



NWC TP 6037

(If previous calculu,;rms arc correct, these values will still reflect the proper gram-atom amounts of C
and 0.)
Thcsl! may be sorted into the order of decreasing molar cuncentration:









C

     Species i1 {0) is immediately chosen as the first basis species and the i1st (here the third) row is ta::cn from the cumposition matrix to become the first row of the basis matrix.
l O 1 j ::: Jinc
Next the i.,nd (here the 4th) row of the C matrix is placed into the B matrix:
'

[	;  ]  IJ (to be tested)

Although linear dependcnce is obvim1s in (his case, the program actually performs the Gram-Schmidt construction which transforms the second row as follows;






I
h21



:;:  b21

eb21,"1')
111







:;:


0+2
O. O+I

. 0 :;:  0


 "i:.b2h  h Ill	
= h22	= 2


0+2

. I = 0

b22

".b 1,1,-

I> 1-1

O+I



Because both elements of the transformed row are zero, o2 is rejected as a basis species.
     Next i3 (CO) is tested as the basis species. The i3rd row (here the 5th) of the composition matrix is placed iP1o the second row of the basis matrix:
[ : ja	B (to be tc"cd)






11
l
I
i.
.i,
------------- 	i,	---
	












NWC TP 6037

Gram-Schmidt construction transforms the first element 01 the second row as follows:

""OF+l t. 0 =


This element is non-negative i:lnd CO is immediately accepted ?s a basis srJec.ies without further calculations. Also, because there are now as many basis specief., as there arc elements (8 is square), the basis is complete and because of the above technique, "optimized."
The  results  arc summarizr.u  thus:


Species	i
0	1
co	2

i(j)
3
s

1/1	im
I	3
3	5

The next step is to find the inverse of the B matrix which is

The II matrix of reaction coefficient is now found as follows:

11 = cs1 ,::

J 1 [: ] =





The corff;;;11rnt inay be verifted by noting that the foHowing chemical equations balance:


C
C3
0
Oz
co
CO2	.,
C(g..tphite)	''








12


NWC TP 6037

..	These coefficients may be used to determine the equilibrium constants for each reaction. For instance for the first reaction


where g is the given Gibbs free energy at the given temperatur,;: 7'.
     Let us say for the sake of an example that T = 5500 K and I' = I atm and that the e4uilibrium constants computed by the above method turn out to be

Reaction I
'!!!.J.i (5500)
-1.4
2
-5.95
3
0
4

5
0
6

7
.J.91
The variable A, which ct,nverts molar concentrations to partial pressures, is computed as follows:

6
A = P/LJ'Y/1; (summation to he taken only over gases)
i==l

A = 1 /{0.4874996 + 0.0045 + 0.5005 + 0.S + 0.4985 + 0.0005)

A	1 / 1.9914996 "' 0.5022 (ro1Jndcd)

Since all products involved arc gasc . Qn Q for the first reaction is computed thus:

fln 'J = -	vl.j. IJJ1 (.An1(j);. t fl11 AvI ,
=	f(-1) fl11 (0.507.2  nco) + (+I) Q11 (0.5022  nO)] + Qn (0.5022  nc)


- _ + _II

[Q;",975 (0.5005) (0.5022)

0.4985

=	I 3829 '


     The molar amount of C is not less than one hundreth of that of CO or 0, so t'.1e formula for the correction of a majC"'f species is used:

	i:lt = (-0.0171)/6.055 = -0.0028


13






NWC TP 6037

The corrections in composition are now made as follows:

I-
0	II	= 0.500S - (-1 X-0.0028) = 0.4977
co	11Ico = 0.4985	(+1)(-o.002s)  = o.s013
C	n	= 0.4975	0.0028 = 0.4947
(These new value3 may be substituted into the expression for Q,1 Q above yielding -1.4004, which is a significantly better estimate of 11 K 1.)
Next, we turn to the second rea.;tion

(3) 0 + (3) CO -+	c3
Because nc3 = 0.0045 is less than 0.01 of the smallest (n0 = 0.497'/) concentration of the basis species, c3 is classified as minor.
The equilibrium constant is given as Qn K == -5.9S or K " 0.00260S and Q is evaluated by
=	(0.5022 "ci (0.5022 11C3)
Q2	(o.s022  11c0)3

(0.5022) (0.4977)3 (0.0045)
= ---- :.	- -------- = 0.0002212
(O.S013)3	..
(Note that the new values of n0 and nco are used.) The new concentration of c3 Is found by the formula for minor species.



== 0.0045 (

0.002S10)
0.002212  =	0.0053


The change in the basis species is then determined

A  = 0.0053  0.004 = 0.0008
110 = 0.4.977  (3) 0.L1008 = 0.5001
ncI o = 0.5014  (+3) 0.0008 = 0.4990
(Again, a reevaluation of Q shows a greatly improved estimate of K.)
The third reaction

(1) 0 + (O) CO 	. 0

simply shows the formation of a basis Sfecies from itself and so it is ignored.


14













NWC TP 6037

     Reactions four through six fall Into the same categories as the first three and so will not be illustrated here.
     The seventh re:iction (I) 0 + (+I) CO -+ C(graphite) shows the formation of a ccnclensed species, and so it is considered to be major even though its concentration is well under l /100 of the smallest basis species. Qn Q is found as follows:

Qn Q3 =	(I) 211 (Ano) J, (+!) 11 (Anco)
= - [(1) /1 (0.5022)(0.5001) + (+I) f&1 (0.5022) (0.4990)]

= Qn D0..45909001


= 0.0022


(No term involving nqgrapnite) appears in this expression because C(graphite) is a nongas.)
     Normally this species would be corrected as before for a major species. But the following conditions exist:
          nc{graphitc) < 0.00000 I, and fln K 7 - 2/1 Q7 is negative Therefore, no correction is made and the equilibrium relation is not binding.
The procedure outlined is repeated for all species until all binding equilibrium relations arc
satisfied to a specified tolerance.


THE WORK OF SMITH AND MISSEN

     Ptofessors Smith and Missen at the University of Toronto reported further results on the reaction-adjustment method in 1968,12 Their work points out that a converge,. e forcer is ;equired for the method. It was an oversight that this had not been reported in the work by the :mthor.13 A
device t.o force convergence is indeed required.
The NWC program computes limits on

	 (l 9)
such that negative concentrations do not occur. It forces convergence by narrowing these limits as follows:

	 (20)
Empirkaliy this has been found to work. 
    Smith anJ Missen use a mori> cleganl r chnique, which in effect tests the results of each reaction adjustment to ensure that the free energy minimum has not been passed over. If this occurs, thry rqduce the extent of the adj(lstment.

     12w. R. Smith a;id R. W. Missen. "Calculating Complex Chemical Equlllbria by an Improved ReaLt1un Adjustment Method," Ca11. J. Chem. J:.'11,:., V-il. 46 (196 ). pp. 269-72.
130. R. Cruise. "Notes on the Rapid Computation of Cr.cmical Equilibria," J. Phys. Chem.. Vol. 68 (1964),
pp. 3797-802.

16



., 	  ------


---

. {	..
  ;h.1.',













NWC TP 6037

     Smith and Missen also report that faster convergence can be achieved by obtaimng a be!ter initial estimate of the composition.

     Smitn and Missen further draw parallels between the reaction-adjustment method and linear programming. This inspired  th:  author  to update  the basis by the tableau  method of linear
programming 14 ir. tead of the more time consuming Gram-Schmidt construction previously reported
(footnote 13). This updat.;;d version works by testing each species after adjustment to determine if it is now larger than any of the basis species with which it reacts. If o, the two are interchanged, and the cq uations arc updated as suggested by the tableau format (footnote 14).


\
NOTES ON THE PROPELLANT MODEL

     A theorem by Duhcm (see Chapte1 Xlll of Chemical 11lerm,xiy11amics10) states that "Whatever the number of phases, of components, or of chemical reactions, thi.: ciquilibril'lln state of a closed system for which we know the initial masses is completely determined by two independent variables." This determination is made by the NWC thermochemical ,>regram in the tr.corctical evaluation of propellant performance. In the mathematics of the program the independent variables d1ose11 ure pressure and temperature. Two other variables of interest and possible ch)ices for independent variables arc enthalpy and entropy. These too, however, arc computed from ;..quilibrium comp1.,1tions and arc therefore dependent on pressure and temperature in this program. Desired valur of entropy or enthalpy are achieved by repeating the above determination for various temperatures, and new temperature guesses arc obtained by interpolaticm.
     Theoretical propellant evaluation is based on a straightforward thermodynamic 1nodcl consisting of two processes: (1) constant pressure, adiabatic combustion and ('.!) isentropic, adiabatic expansiu11.
The assumptions behind the combustion process include
I. Reaction kinetics arc fast enough that chemical equilibrium is attained before the products leave the combustion chamber and enter the nozzle."'
" No heat exchange occurs between the propellant system and the surroundings."'*
3. l,,1scous species individually obey the perfect gas law and collectively obey Dalton's law of partial prcssurr.s.
     When sLd1 assumptions are made, the system enthalpy and the system pressure completely determine the tinal state and chemical composition of the system after combustion. The solution to t.ltis state and con1position is found by a computing technique called "enthalpy balance." The method used by the jW)pcllant evaluation program is described below.
     The system enthalpy itself ii, determined by the propellant heat of formation, which (excluding heats of niixing) is a linear weigh ting or the heats of formation of the individual propellant

14G. Hadley. U11ear /'rogra1mni11g, 2nd ed. Reudin&, Mass., Addison Wesley, June 1963. Pp. 126 ff.
 Real propellants for which this assumption is 1101 valid arc  uid to ''burn on the wrong side of the nozzle."
This may be referred to as a Type 1 inefficiency and is one of the principle reasons for diSllgrccment between the program and rcalit:,.
      In ramjets. the stagnation l.lncrgy of the h,coming air becomes part of thc system. This ma)' simply be added to the heat of formation of air.

16


















I\IWC TP 6037

ingredients. The value of enthalpy does not change during combustion, so this is also the value of the system enthalpy after combustion. By definition, system enthalpy is the heat needed to form the system in its current state from the clements in their most natural state at 298K and one atmosphere.
     The assumptions behind the expansion process include: (la) Reaction kinetics fast enough that chemical equilibrium is main,ained throughout expansion. i.e., the shifting hypothesis; (1b) reaction kinetics so slow that no appreciable change occurs in the cherr.kal composition during expansion, i.e.. the frozen hypothesis; (2) expansion process is reversibie*; (3) no heal exchange between system and surroundings; and (4) gaseous species individually obey the perfect gas law and collectively obey Dalton's law and n0ngases oc upy no volume.
     When such assumptions arc made, the system entropy and the system pressure completely determine the final state of the system, regardlc5s of the path. The solution of this state and composition is found by a computing technique called entropy balance. Tl:e latter differs little from enthalpy babncc. (System entropy is referenced to the third law of thermodynamics.)
     The need for the techniques described below arise because the chendcal equilibrium problem is formulated to calculate composition and state from given pressure and temperature values. The calculation d' pcrformanee and design parameters, however, dem nd that the propellant model above b:: utilized.
     The first problem is to .find the value of temperature at which a given enthalpy and pressure requirement is satisfled. This provides the "adiabatic name temperature" and, as a by-rroduct, the system entropy. The second problem is to find the value of temperature which satisfies the system entropy at a given exhaust pressure. In both cases, pressure is entered directly into the equilibrium code and temperature gu.Jsscs must be ir1troduced until the enthalpy or entropy eonditions arc satisfied.
     Enthalpy and entropy are each monotonic functions of temperature: their functional valu1 s always increase with increasing temperat urc. In ideal cases, they arc smooth, nearly linear curves. In less frequent, but certain to occur, cases the cUfVes arc actually di continuous. This occurs at the fusion temperatures of condensed species.
Two numerical methods suggest themselves: Newton's method and the interval-halving method. Newton's method consists of correcting successive temperature guesses by the following formula
	 (21)
where T; is the new guess, T;.1	is the previous guess, HT) is ll(T) - H0 in the case of enthalpy balance, and .trT) is S(T)  S0  in the case of entropy balar1ce. 110 and S0 are the desired values of
enthalpy and entropy. The derivative in the case of enthalpy is expressed asf'(T/=Cp and in the case
of entropy f 1TJ = C1/T.
     Newton's method is very rapid when the curve is fairly straight and \ hen a good gue s is given. There is no guarantee of its convergence, It definitely will not converge in areas where the curve is discontinuous :is mentioned above.
     The interval-halving method depends on setting upper and lower temperature limits. TI1at is, fir..t, a tcmpr,rature for which the enthalpy (or entropy) is too high: and second, a temperature for which the enthalpy (or entropy) is too low. TI1e range of much of the JANAF ;1ermochemical data is 298 to 6,000K. Thc e can be chosen as the limits, because if they do not bound the answer, the computer effort is futile anyway.
     *This covccs a multitude of sins sud1 as no shocking in the nuzzle and equal velocities for gas and nongas phases at each point in the !low. Real systems for whkh this assumption is nut valid have what may be referred to us the Type II in fficicncy.
17
















NWC TP 6037

The  mcth <l	proceeds  as  follows: Take  the  arithmetic  mean  of  the  temperature  limits
(T) = 0.5/Tu + Tl)	and compute the va e of H(T) or S(T) depending on the process. If H(T) is

greater than //
0

(or equivalently for S), T becom':!_ the new upper limit. Otherwise, it becomes the

new lower limit. The process is then repeated. T becomes successively a heller estimate of the desired temperature, gaining one bit in precision for every iteration. Using the original limits of 298 and 6,000K, about 13 iterations arc required to achieve a precision of one degree.
     The interval-halving method is the sl_owest practical .1pproach to the problem. However, it has one overwhelming ad,antage over other methods: if the answer is contained in the original limits, the method will always converge.
     The propellant program combines the two techniques. Temperature bounds uie established and modified according to the results of the temperature guesses (a guess too high gives a new upper bound and vice-versa). Gue:ises are first chosen hy the formula for Newton's method. However, they arc used only if they do not approach one of the bounds by more than halfway: in this case the halfway point is used.
     The program thus uses Newton's method, with an interval-halving "overnde.' The advantages of both methods are obtainc<l. When the curve is fairly linear, the convergence is rapid: when the curve "misbehaves" convergence is at least certain.


ESTIMATION OF NOZZLE DESIGN PARAMETERS

     The NWC thermochemical progra1n evaluates theoretical specific impulse by exact methods: enthalpy balance for the combustion proces and entropy balance for the expansion process. The state of the fluid hnmediately after combustion is completed may be designated by the subscript "I" and the state of the gas after isentropic expansion to the exit pressure may be designated hy the subscript "2".
     Tht state variables computed during the first process are T1, VI and SI given the chamber pres.sure, P1, and the propellant heat of formation, H 1 mose computed during the second process am T2, V2und112 given the exit pressure, P2, and entropy,S2 =  1.
The state of the gas after the expansion 111ay be computed under either a shifting or frozen
hypothr ;s: 'n tl1e latter case the chamber composition is retained rather than computing new equilibri1..,n conditions at the exit conditions. Obviously, the values of T2, v2 and 112 differ under the two hypJtheses, but the design equations presented below (which use these values as input) are
identical for both hypotheses.
     The co111putation of optimum impulse assumes that the expansion ratio of the nozzle Is optimum: i.e., the value of pressure predided at the exit by the continuity e4uation is the same as ti,.: given ambient pressure. h this case, impulse is simply evaluated as follows:



  =	 _l_, /2!(H1  H2) lsp	KMK. v	m


(22)

where gMKS = 9.8066S m/s2, .I = 4186 (gjoules)/(kg-calories), m = 100 g and II is system enthalpy in calories. (The program does not actually require a I 00 g reforence mass: it is merely a lime-honored convention.)


18





NWC TP e')37

     The questions arise: How does one correct the impulse for conditions other than the chamber and exit pressures given? ,\lfo, how does one correct for a no7.zle that does not have an optimum expansion ratio? Furthermore, how does one determine design parameters such as the thrust coefficient and !he optimum expansion ratio itself?
     Two comments can be made immediately: (I) As far as the first qucstior, is <..oncerncd, there is no better way to .!ctermine the correction than rerunning the program at the desired prc sure conditions: (2) The gamma equations given in textbooks arc inaccurate and misleading. especially when applied to shifting flow and when the conventional definition of gamma is used:

	 (23)

     Hov,cver, t!quations of a gari1ma form may be used effectively, if the values for gamma arc fitted to the exact solution of the stat, variables yielded by the program.
This approach assumes that the equations of state for enthalpy and entropy may be written:



fl  = IJ0

+ -'Y.e 'Ye 1


nRT


(24)



S = S	= - 'Yv
o	'Yv I


nR Qn T  nR Qn P


(25)


where 110 and S0 arc arbitrary constants and 'Ye and -y11 are the parameters to be flttecl.
The perfect gas law, PV = nRT, may be substituted into Equations 24 and 25 yielding:


'tc
If  =	+ -	PVI,
-Ye


(26)

'Yv
S = S'
o	'YvI


nR Qn (PV) - nR Qn P


(27)

where s ' is a new arbitrary constant,	and /,_ = 24.218 calories/liter-atm. is introduced so as to consistently express enthalpy in calories.
The constants 'Ye and "fv arc to be determined as that H 2 and V 2 are corri ctly predicted from
II1 and V 1 by Equations 26 and 27. The solution may be shown to be


ll1H2
= /'I V1-P2V2	L


(28)




'Yv =

Qn  P2  211  P1
Qn v1  Qn v2


(29)

where 110 and s ' cancel out. 'Yc  may be called the calorimetric gamma because it predicts the heat
content during the expansion. 'Yv may be called the volumetric gamma b cause it predicts the changes in volume during the expansion. In fact the familiar relation


p V	'Yv = p V
I  I	2 2

'Yv


19

NWC TP 0087

may be derived from Equation 29, assuming t).S = 0. The two gammas will not, in general, be equal, due to nonuniform 11c.:t capacity and changes in composition in real systems.
Design calculations may be based on the continuity equatio,, for one-dimensional flow:

	 (30)
where ,;, = mass flux (g/s), k = 1,000 (lite.'s/1113), p = density (g/litcr), v = veh,dty (m/s) an<l
/,. :.: duct -;rosssectional area (m2).
Equation 30 may be rewritten in terms of' state variables.


,	Vlk
A/111 ,.,	-
j2mJ  (Iii fl)




.,	m


(31)

using the relationships 111  H = 1/2 m v"' and p = v
Equadons 26 and 27 may be substituted i:1to this expression giVi1,:3






(32)




     The pressure at t!u: nozzle throat is found by minimizrng this exp,ession whh respect to P. The solution is

(33)



The throat area for u111l m s	flow is found by subs:ituting p back into Ec.j'lation 32.

A"'/111 = J(P)	(34)

The optimum , xpansion r'.llio for the given exit pressure may now be found

	 (35)
     If th,: n<n:i;lc ex:,ansion ratio is not optimum, then the true exit pressure (P2) is not the same as the given e>:t pres.rnrc (P2). P2may be found implicitly from the given value of the expansion rt\tio.

(36)


The energy of propulsion is then given by:
t. H = .: I (LP1 vi{ - ( r-ll/1,]
20




(37)

NWC TP 6037

(In the special (optimum) case where P -" P2, then H = H1  112.)
In both optimum and nonoptimum cases, he speciEc impulse is giveP by

The vacuurn specitk i1npulse follows easily:








(38)




(39)


Finally, the thrust ,;oefficient and the characteristic velocities arc found by conventional relationships.

(40)


C* = gFPS 1sp/C.f'
wher'! gFPS::: 32.16 ft/s2,

(41)


     The program currently outputs (/sp)opt' -y1,, (A/A), and Cf' under both frozen and shifting hypotheses. Corrections for nonoptimum expansion  may be obtained  under one of the program
options.
     The program was modified in 1965 so that the computation ,,r 'Ye and "fr is applied to several regimes. These arc separated at points where condensed phases appear and disappear from the system. The values of 'Ye and 'Yv vary from regime to regime. Each regime is scrutinized for minimum throat area. If more than one occurs, the smallest is the one chosen.



BOOST VELOCITY

The formula for boost vel:>dty of an ideali1.ed missile (one free of gravity and drag) is

tJ.U = (/sp) g lln (I	+ .:-.)
where the switch density, p*, is given by
* _ Mass of missile - Mass  of propellant	(42)
P -	Volui11e uf propellant
and  is the density of the propellant.
     We use lb-rnass/in3 to measure p and lb-mass/ft3 to measure p*, as input to the computer, in abject submission to the illogical common usage. The units are made the same before computing thP ratio.



21

NWC TP 6037







Appendix A
INPUT INSTRUCTIONS FOR THE PROPELLANT EVALUATION PROGRAM (PEP)

     The instructions below assume that one is making a batch run and that he has already produced the library tape or file described under PEP Auxiliary Program (Appendix G). It does not describe the optional input of ingredients by serial number; that is described under Automated Input of Ingredic11t D11ta (Appendix F). The latter option works for both batch and teletype runs.
     The input dt>ck for the equilibrium program consists simply of three groups of cards: (I) the control card, (2) the ingredient composition card(s), and (3) the pressure and weight ratio card(s).
     The first 19 columns of the control card contain option switches. Their functions are summarized in Table- A-1 at the end of this appendix.
     In columns 21 through 26 of the control card appear the first six letters of the name of the person running the problem. Ending in column 30 is the number (not to exceed I 0) of propellant ingredients; this number must agree with the number of ingredicn t composition cards that are to follow the control card (punch no decitnal point). Ending in column 40 is the number of runs to be made on that system of ing1edieuts. This number must agree with the numbt.:r of pressure and wcii;ht ratio cards that arc to follow the ingredient cards (again, punch no decimal point).
The format of the ingredient composition card is :is follows:
Column  1-30  Name of ingredient (alphanumeric)
Column 31-33 Number of atoms of first element in compound (punch no decimal) Column 34-35  Symbol of first element (left adjust)
Column 36-38  Number of atoms of se;;ond clement in compound
Column 39-40  Symbol of second element and so on as needed up to six elements and coiumn 60.
Column 63-6i  Heat of formation of compuund in caiories per gram (right adjust with no
decimal point)
     Column 69- 7?,  Density of compourid in pounds per cubic inch (punch decimal point) This last item may be omitted if boost velocities and density-impulse are not required.
Example,; of ingredient composition cards follow:
AMMONIUM DICHROMATE	8H	2N	70	2CR	-1688	.0776
It is possible to introduce ar0itnuy multipliers into the composition; thus the following is equivalent to tile example above:
AMMONIUM DICHROUATE	16H	4N	140	4CR	-1688	.0776
Mixtures may also be entered as single ingredients as follows:
AIR (DRY AT EA LEVEL)	835N   2240  SAR	ooco

23






NWC TP 6037

     The pressure and weight ratio cards each consist of 12 six-column fields. The first field contains the chamber pressure, and the second contains the exhaust pressure. Following these are consecutive weight ratios for the propellant ingredients in the same order in which they app ar :- the ingredient composition cards. There are, of course, as many cards as there ar ingredients. The weights normally are chosen to add up to 100 g, although this is not reqttired. Decimal points must be punch,d in all fields used 011 the pressure and weight ratio cards.
     A complete sample input deck for a well-known hybrid system is listed afte1 Table Al Table A-I contains necessary information that should be studied before using the program.

1 ABLE A-1. Program Options.


Option no.
Type
Function performed



Deletes exit calculations

2

Includes ionic species in the calculations

3

Deletes boost velocitie& and three pages of nozzle design data

4
s

Inputs pressures in psi instead of atmospheres
I"Creases precision of species concentrations one order of mi:gnitudc

5
2 or
Increases prec:ision even further


higher


6
1
Input.. an extra identification card

7
l
Inputs a pressure-temperature point instead of chamocr and exhaust pressures.
a PT-H-S chart to be developed
This allows
8

Outputs a list of all combustion species considered

9

Allows serial number Input for Ingredients

10

Allows p "dificatlon of H and p data



Option 11-15 are used only for debugging

11

Printr. out thermo data computed at every temperature guess

12

Prints out the first guess of the composition

13

Prints out compositions every fourth iteration

14

Prints out the log of the equilibrium constants at every temperature guess

15

16-19

Leave Blank
Outputs a code that indicates the classification the program has upplicd  to various species
at each iteration
l'or internal use







-RUN 419vS11320018AOB5G453541905,75/0	CRUISE
-ADD PEP*RUNo
0011000000	CRUISE	2	9
SULPHUR	1S
MOLASSES	22H 12C 110
1000. 14.7	10.	90.
-FIN

+0000 e0474
-1550 .0574

24

NWC TP 6037








Appendix B

PEP TELETYPE USAGE
(Pertains mainly to NWC users)

     First obtain a user number for yourself, an identification number for your l.detype (TTY), and a job order number for the use of the people in Code 3132. Call Ext. 30!9 for a UNIVAC 11 IO user number, and call Daryl Vaughn at ext. 3561 for the teletype identification number, if it is not already pasted to your teletype.
   Approach the teletype and dial 7 (120 cps), 6 (.,0 cps), or 5 (IO cps), It should ring once and give a 1,000-cps beep. Type in the teletype identification upon coupling. A secret password is now required at this point (call ext. 3019 for information).
     The RUN card is typed next. It starts with (a1RUN followed by one or more spaces. Then, on the same line, type uuuTTY, mmmmmmmmmm9G, ccccuuu, t, where uuu is your user number, mmmmmmmm is your job order number, cccc is your NWC organizational code, 1nd t is a time estimate in minutes. The TTY and 9G arc typed as shown.
     After the computer prints out the date, type in (ilADD PEP*RUN. exactly as shown. (Do not forget the period.)
     The computer will now mumble for l O or more Iinef, and then you will be greeted by the PEP program. The program will prompt you for an input and provide a typing guide. The first inputted line contains the options, the name of the user, the number of ingredients, and the number of runs to be performed on that set of ingredients. Type the options under the option number.
     Ingredient information may now be entered by serial number. Obtain a list from Code 3245, and send any updates for the l!st yoo wish to add. Enter the serial numbers in the orJrr you wish and type them consecutively so they end under the "V's" of the typing guide. (TI1ey :1 thus right adjusted in five-column fields.)
    The program will next prompt you for the chamber pressure, the exit pressure, and the weight ratios. The weight ratios are in the same order as the ingredients. Always type the decimal point and remain inside the fields. The end of each field is indicated by a "V" in the typing guide. (Actually the guide stops short of the 12 fields that arc possible.) The number of ingredients is limited to 10.
If you wish to start over, hit a carriar:: n.,turn instead of the input discussP.d above.
    Terminate the run by typing (a1c,11X TIO	and then (i1flN instead uf the prompted input. After the computer prints out execution time, type (a{ill'fERM to sign off.
A "control Z" deletes the previous character (but defeats the typing guide).
A "control X" typed before a carriage return deletes the current line and allows you to start
over.
A run may be aborted hy hitting the "break" key (on some teletypes this must be followed by
hitting a "brrak release" button, which turns on c1fter you have hit the "break" key). The computer


26

















NWC TP 6037

types INTERRUPT LAST LINE and returns. Type (u, 1X TIO and hit carnage rctur:1. The run eventually stops.
     If a run is deliberately or accidentally aborted, type MXQT CRUISE*QAME to iestart the program, instead of (111ADD PEP*RUN; it saves time and money.
To save more money, try the following:
1. Delete the long output (option 3), if you do not need it.
2. Punch the information on cards and submit a batch run.
3. If you do not mind the longer turnaround time, submit a batch run with an "N" (night run) option,





































26






NWC TP 6037








           Appendix C COMMENTS ON THE PEP OUTPUT

     The program outp1..! deliberately has been made concise so that a great deal of information may appear on a single page of a report. Howewr, the conciseness requires that some explanations be given to the uninitiated.
     The first line -:ontains the user's name, the date, and the precise time of day. This informution is repeated on successive pages so that, if the pages are separated, they are uniquely identified.
The input ingredients are printed next, so that the input m:1y be checked.
     The ingredient weights are printed next, and the total system weight follows the individual weights. The total system weight Is generally chosen by the user to be 100 g, but whatever the user chooses, the value is important to other outputs described below.
     The gram-atom amounts for each chemical elemc11t are next. These are based on the given system weight.
     The chamber conditions are then printed out with headings. The enthalpy has unhs of kilocalories per system weight, and the entropy has units of calories/K per system weight. CP/CV is the ratio of specific heats, and GAS identifies the number of moles of gas produced per system weight. Effective molecular weight is obtained by dividing GAS into system weight. Note that although nongases ate not included in this computation this is the proper molecular weight to use .in gas dynamic equations. The quantity RT/V is equal to the variab!e designated A in the text and ma: be expressed as

A = R  (0.08205 2-atm/mole/K) T (K) V(system volume in liters)
    The chamber composition follows in units of moles per system weight. If one prefers to 0btain partial pressures in atmospheres, multiply each composition by RT/V printed above.
     The exhaust plane results follow, in the same format and unit:; as the chamber results just described.
     Three lines of performance results appeur next. The first contains headings; the second contains the results for a frozen flow (no chemical reactions) through the nou.le; and the third contains results for a shifting flow (rea '.tions 'in equilibrium) through the nozzle. lmrulse is in the units of seconds and is the same in engineering and met ic units. Unfortunately, the SI people intruduced confusion where none previously existlld by changing the definition lif impulse to what was previously called the theoretical exhaust velocity. Therefore, to obtain the official SI impulse, multiply the value outputted by 9.806 m/sec.
The next number (IS EX) is the isentropic exponent, which is the "lumber, 1'v such that PvYv = constant
27




NWC TP 6037

for isentropic flow near the nozzle throat. The values of IS EX and CP/CV do not agree, because the gas is not perfect.
    The variables T* and p are throat temperature (in K) and pres:.ure (in atmospheres), respectively. The variable CF is the nozzle thrust coefficient. Those who regard characteristic velocity,
c, as a meaningful number may obtain it by the relation
c = 32.17 ISP/CF
The v.irlable, ISP*, is the vacuum impulse to be obtained from a sonic nozzle. That term is used in airbrrathing propulsion work. The optimum expansion ratio (OPT EX) is the ratio u: the nozzle exit area to noz.,,le throat area at which exit pressure equals ambient pressure. The <l-:nsity impulse is labeled D-lSP, and the exit plane temperature is in K.
     Appearing just before the exit temperature (EXT} is A*M., which stands for A*/M. This is the rntio of nozzle throat area to n1ass flow rate expressed as in2.sec/lb.
     Optional output includes boost velocities. These are shown in number pairs: the first is the switch density (see text), and the second is the velcx:ity in feet/second. Inputted dr.nsities follow in pounds/in3, The next output shows the performance of the propellant through nozzles with expansion ratios of l to 100. These include three kinds of impulse: optimum (ambient pressure = exit pressure), vacuum {zero exit pressure), antl sea level (exit pressure = l atmosphere). Units arc given in SI units as well as the older English units. Note that all impulses need to be corrected for nozzle half angle.
A final c,utput shows chc computer CPU time consumed by the calculations.


CRUISE	t,<,/lS/78

SUL FU!)
MOUSSES

C'91If 3 :113




-1 :.5 L

COMPOSITION

1S
2'-H	12r.	llO


INGREOoWTSoC.TOTAL/ GR.6M  &TOMS/ 1:HA''uf. / EXHAUST RESULTS/ Pt:RFORNANCE

10000000	9'Jol:lu00tl l1.non1./JOO

S  7P.426'1 H	.3118 7  'i
TCl<I	TC Fl	Pt ATM I	PI p!, 11  EllfHALP'i	ENTROPY	Cl>/ CV	GAS	I:' T /W
ssu. 1071	6 a.o 2	l".101".nU	-'39,S'.:	l 6Q,12	l t lb6'I	3169 d.4t,c;
1. n,Q611  C:li	lo 2F..29 .:. H20	 7 92 9P CO2	.5591Q  C.H'I
 :!'C,'- 77 H2S	 .:r1n 7 H2	""116  co	.oc.zos cso
1.25-06  CS2

T (KI
Tl FI	Pl
i.Tt-1 I
p ( p II
[NTHALJ:>Y
CNTPOPY
CP/ CV	GAS
PT /V
5 01 
114, 
lo!JC
l '1  70
-15&. 9,
16Qol2
1  20If S	3.0 5q
 Ji7
.:.1sc,12  cs	lo7i!02'+H20	.st:5 69 coz	olil894  CH'+
 Hl 81  H2S	oL222J.  H;?	,:ir,;r, OS co	.ooooli cso

IHPULSr.	IS  EX	T*	P	CF	ISP*	OPT EX C-ISP	._ H 


INGRro.  OENSITI ES  &RE
 Q(IQ[l	 a,:oo
IC PU	l.79SECSol

28


------------ --


NWC TF- 6037








Appendix D

BRIEF DESCRIPTIONS OF PEP SUBROUTINES


     In the summary below the first itew to appear is the subroutine name. Then appears a letter code in parentheses to explain the usage of the subroutine. The meanings of the letters are as follows

(M) Main program
(I) Input routine
(0)	Output routine
(E)	Routine directly involved in cquil:brium calculations
(P)	Routines that evaluate performance
(U)	Utility routine


















































j
I


.. ;

Following the letter code appears the name of the calling .subroutine(&) i square brackets. Finally a brief description appear:..
A summary of the PEP subrnutines follows:

ADJUST		(E)	(DE.FIOJ]	Correct errors In gram-atom balance that arise due to truncation errors. BOOST	(P,0)		[DESIGN]		Computes and outputs boost velocities.
 DATE	(U)	Calendar date routine.
DEFIOJ	(c)	(EQUIL]	Computes optimal basis.
DESIGN	(P,O)		[PEP]		Computes and outputs performance parameters. DtSNOZ		(0)	(PEP]	Outputs nozzle performance.
EQUIL	(E)	[HBAL,S3AL]	Computes composition for a pressure-temperature point.
FIX8AS (E)	[EQUIL]		Fixes basis to compcnsute for phase changes that o-.:cur due to temperature change,
GIBBS	(D)	[EQUIL]	Computes enthalpy, entropy, and Gibbs free energies for all species.
GUESS	(E)	[PEP]	Computes initial guess of composition.
HBAL	(E)	[PEP]	Computes constant pressure combustion (P,H point). IPHASE	(P)		[DESIGN]	Characterizes and locates phase changes.
LINDEP	(E)	lDEFIOJ]	Establishes linear independence of basis.
LKCLKS {U)	[PUTIN]	Looks at system clock.
ONED (P) [DESIGN) One-dimensional flow ca!culations. OUT (0) [PEP] Outputs temperatures and composition. PEP (M) Main program puts everything together.
PUTIN  (I)  [PEP]  Main input routine.
RANK	(U)	Sorts an array into decreasing order of size.
REACT	(E)		[EQUIL)	Computes stoichiometric coefficients and equilibrium constants. SBAL  (P)	[PEP]	Computes isentropic exhaust state (i.e., a P,S point).
*Nonessential system utility subroutines.
29

,... .-


NWC TP 6037


SEARCH	(I)	lPUTINJ	Searches combustion data for pertinent species.
*SETCLK	(U)	Sets the system clock to zero,
SETUP	(E)		Preliminary analysis of equilibrium situation, computes maximum and minimum shifts in concentration so that negative concentrations do not occur.
SUTE,SLITET	(U)	Through this rout ..: the program seeks to turn off simulated lights to obtain:
LITE( I) off--optimum basis
LITE(2) off--linear independence in basis LITE(3) off--temperature convergence LITE(4) off--composition convergence
STOICH	(E)	[PUTIN]	Preliminary analysis of elementary composition.
TABLO	(E)		[TWITCH]		Updates optimal basis by the tableau method of linear programming. TAPEB (I)	[SEARCH]	Input buffer for combustion data.
THERMO	(E)	[EQUIL]	Computes system enthalpy and entropy.
*TOFDAY  (U)	Time of day.
TSALT	(P)	[TSBAL]	Computes a T,S point by slow, but reliable method when TSBAL fails. TSBAL	(P)	 Fast equilibrium computation for specified temperature and entropy (T,S); occasionally
	fails to converge.
TWID (E)	[TWITCH]	Computes equilibrium relation for TV'ITCH to ,,.r)dify,
TWITCH	(E)	lEQUIL,TSBAL]	Main equilibrium subroutine. This is tlO\v-charted bei0w.

Nonessential system utility subroutines.



























30






NWC TP 6037


FIGURE D-! . Flow Chart for Computation Procedures.

31





NWC TP 6037










Appendix E

IDENTIFICATION OF VARIABLES IN COMMON BLOCKS


The following information is provided for those who wish to dig into the equilibrium progr:im.

BLANK COMMON
A	Basis matrix
KR	Option block
AMAT	Ingredient composition matrix
JAT	Atomic numbers
ASPEC	Element names (field data)
IN	Number of ingrc-Jients
IS	Number of el,;,nents

IE
ALP	Gram-atom amounts (o:)
W27	System weight
N	 Number of combustion species BLOK	 Ingredient nilmes (field data) DH	Ingredient heat:. of formation RHO	 Ingredient densities
ISERI	Output identification (field data)
WATE	Ingredient weigh ts
W1(4)	System heat of formation
Wl(S)	Chamber pressure W1(6)	 Exhaust pressure W43	 Density
JG	Number of gaseous combustion species
NP	N+I
VNT  Combustion species concentrations
W47 Temporary NAME Temporary SER  Temporary
FLOOR	Lower limit of concentrations



33





NWC TP 6037

COMMON/IBRIUM
TL	 Lower temperature lirnits for r.pecies datii TU	Upper temperature limits
W3	 Molecular weights of species VNU	 Reaction coefficient matrix (vij) QA	Temporary variable
TAU	Temporary variable
H	Species enthalpy"
SD	Species entropy
Y	Species heat capacity
JC	Iteration index

IR DMU VLNK IOJ RA RB RC RD RE RF
CH
JM W48 CP FN
C
SPECIE
LL

Storage area for sorting
Species Gihbs free energies (uj) Natural log of equilibrium constants Indices for basis species (i(j)) Constant terms for species cp (L1)
T term for species cp (L2) T2 term for species cp (L3) T3 term for species cp (L4)
T-2 term for species cp (L5) Reference enthalpies (Lti)
Reference entropies (L7)
Temporary variable
Temporary variable System heat capa.city
Number of moles of gas in system Species composition matrix
Names of species (field data)
Vectro to keq; tiack of certain comr,utational data concerning combustion species


COMMON/SCRATC/
HN	Temporary storage for compositions. This is used to analyze splits between the liquid and solid phase. of a species.
PLOT	Temporary st0rage for nozzle design results.

COMMON/MOON/
TSTEST	Convergence test for T-S point.






34

NWC TP 6037








Appendix F
AUTOMATED INPUT OF INGREDIENT DATA

     The program (PEPLIB) appears below with data. It allows a user to enter ingredient data, if he is lucky enough to find it on the list, by the serial number that appears to the right. If option 9 is employed, the ingredient serial numbers are punched on a single card following the option card in format (1015). PEPLIB creates a tape or file which is given label "II" by both PEP and PEPLIB.
Th  program date is the compilation of propdlant ingredient data as of 10 May 1978. It
contains many corrections and additions to previous lists.
     It is not convenient to the users to reassign serial numbers once assig, ed to an ingredient. Therefore, note that the oldest data is in alphabetical order. Following that is a supplementary list that is also in alphabetical order. Following that is another list vf several dozen ingredients, which are in the order received. Finally, there are two more supplementary lists, one of which is <la ta received from Ed Barooty at NSWC, Indian Head, MD. This is heat of combustion data and is in alphabetical order.
     Chemical ingredient name arc mostly generic to avoid confusion. Since these are sometimes long, they are sometimes continued on the following line. The proper sFJrial number in that ca e is on the line which contains the composition.







I'












35

NWC TP 6037

Program With Truncated Input

-ASG,AX CRUISE*PEPLI0//21734
-USE 11,CRUISE*PEPLIB
-FOR,IS	LIBPRO,LIBPRO/A DIMENSION Al201, 8121
WRITE 16,41
4 FORMAT 1-1-1
REWIND 11
DO 9 Jl,99';?;
READ ;;,1,ERRlOtENDlll IAlll,11131
C	l FORMAT ll0A6t2X,A5,1XA5tlXA61
1 FORMAT (10A6, lX, F6,0, lX A5, lX A61
ENCODEl19BI Allll
19 FCRMAT IF6,0)
AllllBlll
WRITE lllt511AIIl,Ill21
5 FOR AT 110A6tA5,lX,A5,lHII
C	2 FORMAT 112A Al,I71 JJJ-1
9 WRITE 16,3llAII),Ill21J-J
3 FORMAT I-	-l0A6,2XtA51XA5171
GO TO 11
10 READ 130,20IIAILlLltl41 WRITE I 6t20)1AILlLltl41
20 FORMATll3A6,A21

11

-XQT

END rILE' 11 CALL EX IT END

lEA-5-85 !VICTOR)	378H 243C 102N 860 205F	-0538 1,463	615
2 NITRO DlPHENYL AMINE	lOH 12C	20	2N	+0135 ,0535	59
1000ER321/43DEH14	810H 596C 22N 1080	-0661
2 NITRO DIPHENYL AMINE	lOH 12c	20	2	+0135 ,0535	359
2-TDMECL04 <INFO 635PI	3C	7H	lCL 6F	4N	50	-0345 ,061\0 $4001
2-TDMEHCL (INFO 631CI	3C	7H	lCL 6F	4N	10	-0448 ,0650 S4002
8C8Hl&FlVN60 (FAPEMON)	8C	8H lBF lON	60	-027':\ .0000 *5003
8C8Hl8Fl0N60 (FAPEMONI	8C	SH lBF lON	60	-0240 .0000 G5004
9Cl4Hl2F6N30 (TVOPAI	9C 14H 12F	6M	30	-0 85 .0000 G'5005
9Cl4Hl2F6N30ITVOPAI	9C 14H 12F	6 1	30	-0430 ,01154	*'3006
ACETAMIDE	2C	5H	10	lN	-1310 ,0360
ACETYL TRIETHYL CITRATE	22H 14C	80	-1257 ,0408	008
ACETYLENE	2C	2H	+1846 ,0263 S5009
ACCTYLENE	2C	2H	+1892 .0220 *501t'
ACETYLENE IGASEOUSI*	2H	2c	+2081	G 011
ACRYLIC AC 1D	-HC-	4H	3C	20	-1282 ,0384 * 012
ACRYLIC NITRILE	3C	3H	lN	06& .0000 *1013
ADIPIC ACID	6C 10H	40	-1480
AIR (ORY AT SEA LEVELi	835N 2240	5AR	+0000
AIR (500K OR 900R)	835N 2240	5AR	+0049
AIR llOOOR OR 555,56KI	835N 2240	SAR	+0063
AIR I 7501<. OR 13SOR I	83'N 2240	SAR	+0113
AIR 11500R OR 833,331<.I	835N 2240	5AR	+0135
AIR <10uOK OR 1800R)K.I	835N 2240	SAR	+0180
AIR (2000R OR 1111.lK.1	835N 2240	SAR	+0201
AIR 11250K OR 2250RIKI	835N 2240	SAR	+0249





36

NWC TP 6037


Program Output

, I').:,..

('	,0

HA-5-o  (VIC TOid	37 H ii:. 4 3C
z NI TRv	UlPHE t.YL A/o\ .L NE	10H	1 2 C

l:S60 21,; r; F	-53!!  1.4o3
2N	BS	.0535	2

1f;CDE.k3, 1/43C l:Hl4	l:,1 "H	Y6C	2,2oN 1080	-to,

.3.

? 'Tll,.ECL C.lo U"HI t..5;, p)	3c	7H	1CL	bF	4N	50	-34,5 Ob'> :l	5
?'TDP'f.HC L (IN  fO  631C)	3c	7H	,CL	6F	4N	10	-448   G6  11	6
lGH1oF1 C1'<60  <tAPUIUN)	'.H.	E,H	Hf	10N	60	-27!,  .QOGl:	7
>:,Cl:IH1 df 1 (1',60 (fAP!:.f,'uN)		 3C		i!H	 Hf	IO._,		60			-240  .oocc OC14H1U cN30 (TVOPA)		9C 14H	1, f		 6N		 '."O			-385 .ouul')			Si C14H1ifc !O(TVOPA)	Q(.	14h 12F	 6N	30		-430 .os si.	, C, ACETAMILI t		 2C		 5H		10		1N			-1 ! 1r. ,03ou		11
AC.UYL T lETH'L CihATE	22H 14C	OU	-1257  .u4 cs	12
ACETlLl:.,-.E	2C	2H	1e46  .0203	13
ACETYLEN	.!C	2H	139 2  02 20	1 ..

ClTYLENE  (GASEuUS)*	2B	2C
Hr.YLll.  llCIO	-HC-	4H	3C

,C,is 1	1;
-1,E. 2   031;;4	lo

AC RV LlC	P,l Tk I 1.1:.	H	3H	1 t-,	6b2	.cowc	1 7
ADIPlC  A CID	6C	uH	4v	- 1401)	1 ti
AIR	(ukY AT Sc.A Lc.Vl:.L)	835N 2,40	5 Al<	C	19
AlR	( 5li CK OR  9CCf<>	e35,-.  2240	S,.P	49	20
AIR	(1U CR  Ok  ::,S5.!>6K)	e35N  2240	5 AR	63	21
l,lR	, 7, I.I<. OR 1350R)	3351,; ,240	5 Afl	113	22
AIR	(1:i.')R  Ok e33.33K)	o.35N 2240	5 A	135	2.3
AIR	(1UC.K Ok 1b(;!:f<)K)	8.35N 2240	5 AR	1b n	24
AH<  (2uC,R OK 1'111.1..)	o35N ,240	5 AR	201	25
All/	( 1,: ; .:.K Ok ,i o1- >K>	o.35N 2240	SAIi	249	2o
ALUl-111\iUM (PUR t CRYSTALINE)	1AL	('!  1)9 76	27
-LUMINvl'I  (PUR 1:. CkYSTALitH)	1AL	('\  09 71.>	2o
ALUflllNUM  l)lt,0 kll/E	2b	1 A._	-1632   11; 2	2Y
ALUl'l lNUi'I 1.:iEkY LLlUl'i (ALLOY)	1uE	1A._	I') .O/:S 74	.30
ALUM H,ul  BERYLUUl"I  (ALLOY>	3bE 1.4 ._	C .01 5	31
ALUMit-.Ufil 1.:iOk I l,)i;	12b	1AL	-314  ,09.11	:! 2
ALU,..lNUM 1.:iORO r, (ALLuY)	12d	1Ai.	-6uo  .09 78	33

ALUl'llt-,UM bOHO hYuRH'E	1Al	3u	1, H	-.301
AL UM I,-.U , i:,OHO hYOkIDI:	1AL	3d	1 2H	-208

.0199	h
r,	3!i

ALUMINUM CAhll iL>E:.	4AL 3C -u O	 -215 Oo 52	3o ALUMINUM   fLOUkiDt.	 3F   1AL	-84-4	 37
ALLiMINul'1 HYDP. !01;.	11\L	3H	92	,0516	.3b
ALU, IhUM  t-. ITi< lo1!:	1 I';	1 AL	-1407  .1110	3Y
ALUMll-iU,  (Null! IH,AC T 1 VE)	1U4	,:, .i:ino	40
ALU,.., !NU , PEkC hLURAH.	12u	1 Al.	3CL	-014  .Q939	41
ALUMlt-.UMbUROHVUKlDEulMETHVLA	?C	19H	1AL	3a	1N	-4,!:\  ozos	42
AMIN OX YL E:.hE ( XYi..lDENEl	11 H	SC	1N	-65	4.3
A \INO  H  lkO.i.O LE:.	3H	1 C	SN	5o5	, 05<; 5	44
A . It-, E. H	PIINA ltll POL Yb UT Ao l E:.Ni:	6H	4C	St  .c3oo	45
AMI'Hi  H  lkOLO LE  Pl:f!CHLOR AT 1;.	4H   1C   SN  4c	1CL	204   C 668	40
0,MONlUM  AC!:. T Ale.	2 C.   7H   20   1N	-18i 'J   (,4 2 2	47
,UIMONlUM bICA kbut..ATI:	1C 5H 3\l 1N		-'511(1  ,,s 70	 41:l AfllMoNIUH C.Ak8 C.NA H.	 1C 3H ,N	30	- 34C	4Y A?,fll0NlUM CHLO 1<101:	 1 r;   4H   1CL		 -1410   v5, 1	 5Q
AMMONlUi'I  CYIINAH.	1 C	4H	10	211	- 124 5 .04/;i,	1
Al'IM0NlUM  FLC.U 1<l1JI:	4H	1	1F	-.5G00  .C3c,4	5?
A ii DN llHI FLOU hO!ilLIC,PE	?N	,8H	1S I	6F	- .353 !1 .0120	53

.& 1/IIOlilUM  FOk I Tc	1 C	5H	20	1..N.

-c:105 .Q4c,	54

A 1MOtUUII  l:olYC CILLATE	2C	7H	30

1,.

-1410	5!)

AMl'I0NIUH l:ol YO XALLA Ti;	2C	1H	40	HI	- 21Jt,'1	5o
.Olf!I0N!Ul'I lOll I i.E	H	1N	1l	-3.56	57
AMI0NIUl'I N ITR AH.	4H	2N	30	-1090  .06,:3	5b

Ai',l'illl'HUl'I N ITR  ATE	4H	ZN
O:MQNlUM  OtAL ATE	SH	2'.

,3,0.,

 109 0  ,06 23	5'11
40	-i!160 .0542	6C

AM lONlUl'I OllAL AJI:.	2C	8H	40	2N	2160	61
Al'IMONIUI JXAL AH  <HYDRATED)	2C	10H	so 1N	-2400  .0542	62
37








NWC TP 6037
Al'li",UhlUM PfkC hLvr-ATt (AP)	1CL  4H	1N	40	-602  .0704	63
A"1MO lA  H<lbO Al',E.	%	10H	1r4	-!!67  .0000	64
MMONlA	3t1	1N	-1004   0244	65
Al'IMOi.lA  (GHE l.lJ:i >*	3H	1N	-649	66
Al'il'IONlAT!:I)  AL uMH,UII:  1001DE	1 Ai..	31	9N	27H	-676  .ooco
A?,Mu Nl AT ti> AL l.,l'ilNU"I IOl>lDE	1AL	31	13N	9H	-n	-722  .oooc	6b
.6 1r-lC/NlAT ti> AL i..MlNUM 1001 OE	 1 AL	 31	20N	60H	-c	 -782 .ocoo	6', A, MONlAT !:D AL I.lo\! NUM ICl>l De	 1 AL	 31		 t>N	18H	 -o	 -62 2 .OOJC	 /G A/'o O,.lAT t.O AL 1.MINUM 1001 OE.	1AL	:S l		1N		3H	 -n	-282 .uOulJ	 71
A/o\ 10 Nl AT !:D AL l..MltHJ/11 l 01> l DI:.	HL	31	3N	9H	-(1	-454 .0000	72
Al'IMOt,IAT tD AL i..l'IJ.NUM 1001ilE.	1 AL	31	5N	15H	-'J	-59 2  ,JQ C,O	73
AM 10tdAT U> AL LMINUM lODlOE.	AL	31	7N	21H	-o	- ltS  .0000	7'4

Al',?iONIAT LO t.E kYLLlU,.., IC'D lllE	1llE	21 "1 "1CN1AT t.D bE kYLLlUM lOOlH	 1bE  '1

12H	-(1	-642  .ocoo	75
()j\j	18H  -!')	-691} .'J0u0	76

MO llAl i;I> 6E 11YLLlU 1 I 00 IDE.	1bE	21 13	39H	-792  .0000	77
Al',M0"11Al ti>  CA LClUM  l 00 l OE	1 C. A	21	1r.	3H	-n	-507   0000	1t..
AMMONIAT U> C.ALClUM l CO ll>E	1CA	2.1.	2N	oP.	-!"	-571'! ooi.:.o	7'i
Af'i?,OhlATtll  C,., LClU t  l 01) l ti E	1 CA	21	6N	1.3H	-n	-72':l   OtJuC	BI
Al', 1Ut.lAT lD  CALCll,  1OD IDE	11. A	21	l.lN	,4H	-"	-73 5  0000	81
AM,Ot-.ll\T lD CO f Pt R NlTRAH	1CU  4N	OU	6H	-c	-63 lJ .ooco	82
A1'11'10hlAT ell LO FPl:R NITRATE	1cu 6N	t,0	12H	-1)	-769  .ooco	B
A '"'vtdAT !.O COF-f't:R NlTKATE	1clJ	Im	oO	18H	_n	822  .ooco	8

Ar?,ONIAT l:.D LI Tl11UM lODIDl:.	1LI	11	1t.	3H	-
A,.,fl',ONIATLO LI THlUI", J.0011.ll:.	1L 1	11	t.Ii	6H

-608 .0000	85
-6',' 1 .OOO'J	8b

Af'il'IIONlAT U1 LI ll1lU 1 J. 00 I I> E	1LI	11	3N	9H	-r	-751  .G000	87
A ,MONlATlll LI l Hl U ,  l 001 DE.	1LI	11	4t,,	12H	-11	-799   ,)uuo	Be
Alt.,..,ONIAT tD L1 l11iU , l 00IDE	1LI	11	Sr.	15H	-82 5 .CCOG	8
AMOl--.lAT ll> LITHIUM lODlOE	2Ll	21	11i	33H	-r	417 .ooe,o	qi:,

AMltoONlAT tD LITHIUM lOl>IOE	1Ll	,:	7N 21H	-r
AMMOhlAT D  l'IAbNt lUM  IOOl Dl:	1l'IG	21	2N	6H

-657  .OOGO	,, 1
-soo .oouo	92

Al-1?,0Nll,M ALUMlNIJ PERCHLORATE	12H	3N	240	HL	!-CL	-514  . u7Se	93
HlMONlUM AZ 1 D t	411	4N	45 2  0406	95
AM ONIU'' tlOROFLuOklOE	4H	1a	1,.	4F	- ..60C  066!!	9o
A"'MONIU 1 dROl'l iOE	4H	1N	1 i; R	-659  .C678	97
A,..,1-lONIUM CYAN lOE.	 2 r,	4H	1 C	-o		0  OOLC	9c 0\MONlUM  DICH l\Ol'IATF.	511	 2i.	 70		2 CR	-1688  .0770	 9<;
AIP!MOt,lUM Ott Y i.,-.AMil>t	2,	4H	4 ,.	121  .0000	1%
Al',f'lONlUII FLOU i.lDE	4H	1N	1F	-, ,1:17	1 I)1
Al'ol'IONllJl'I FOl<l'l Alt	5 H	1 C	1N	20	-dui!	102
AMll:ONluM 10111 DE	4H	1N	1 l	-:334	103
A 1MONI UM PHI	C.OATE		411	1N		40		1 I	 -360  121c	 1a.. 0,MOIUUl'I PE liC hLURA H	;40H  3400	asN	o5CL	-590  .07C,4	105
AH1'10NlUI', SULP hAT E	8H	2N	'tlJ	1S 	-'133   u64:3	1 Oc,
,iYL  ft:ilk0Cl"1t	''JH	15c	1Ff	-o 1  04, 2	107
Al\llINE	7H	bC	1 r-.	79	.0367	10b
Hr.ON	1 AR -c	n	0 .06 4	109

ASrRO<>ELL	3']H	15C
ALO'bl 'lSObUTYkCNI1RlLE',,2	8C.	12H

.1.0,..

1AL	-436 .C540	110
:!.B  0000	111

r<ARIUM C 110JIIAT t.	1CR	40	-1347	112
f'ARlUM NlTRIITt *	21'l	o	1bA	9C7 .1110	113

iJAR I Ul'I i'tRO ItlE	1tl A	2v	-c -o	_r,	-H!9
:.iASlC  Lt:AO L.lt<bUi.ATt.	3f-'8	2C	OU	2H
 
1'I91	114
11 5

l;Jl:j', ENE	6H	oC	14"	 '.J317	11 c,
bH, YLLlu I'. 80R ClkYDRlOE	21.,	1oL	bH	-666 .02,a	117
r.<UHLLlu  HYD t<ll)E	1 t) E	2H	-399   .:iooo	11 !S
8.RYLLIU? NIT klcE	3iJE	2N	-':	-o -"'	-,404  (,Q:)0	11 9
!:'t;HL-Llt.J M (NO l'\i<tACTIVE>	1U2	C  06ee	120
H:.RYLLlU I' C l'U  hE CRHTALI f'<t l	1bE	.00ee	121
f.ll S  '.RlA	lNOGLANlDlNlUMO  CAdOR	2C	20H	1lb	1 2 	1 ti '1 .OOvC	122
!:'lSDlfLU C.ROAl'I 1N011E:PTANE	7C	14H	4F	2N	-:! 2 I\   \J4t 26	12 J
filS(Cl'IET YLHY RAZlNO)OECAuGRA	4C	2tiH	Hu	eN	1 Qr"  :l4 t,)4	1?4
lS(DlfLLOROA  lt.O)LuTANE',,3	4C	8H	"F	2N	-35 3 .(.,45?	125
e1s<vlFLLOROA  lNO)D!FLUOR\J  ETH	1 C.	6F	,N	-6911  'JO uO	126
f>lS(DlfL  LOROA ,lNO>r-.t.THYLf'tr-.TAt.	6c	12H	i. F	,N	-30Q  0000	127
81S (DlNl lROFL UORE TIIYL) FO P,.,AL	5 C.	6H	d	41l	1no	-55 9  05 7 6	12b
38

NWC TP 6037
01S(D1Nl lROPkCf'YL)ACfTAL ulH,PA	ac	1411	 4N	 100		 -.:.1r, .'J4t.5	 12v SlS(DINll OPRL.PYL)FUkMAL tl 1)1 PF	 7C	 12H	4N	100		-475 - 16	Du BlS(FLUU OXY) lfLUO OHETHANE	 1C		4f	 20		-11n 00:J 'J	 131
8lS(TklNlTRUElHYL)NlTRAMl e	 4C	 411	bl-4	140		13 .v J	13, BlS(DlfLLOROA  lhO)S  TANE2,l	4C	&Ii	 4F		2N	.546  C4 ,51j	133
BlS(DlFLLOROAMINQ)METHYLPt.NTAN	6C	12H	4F	2N	-36!   0415	134
9IS(DlfLL.0ROA  lNO)OCTANE'2,2	5C	Ht1	4f	2,-;	347  .Ql97	135
BlS(DltdlRO)   LUOROPROPANt.	3C	5H	1f	2N	40	-53 r:  o,,000	130
8lS(DlNl lkOPRCPYL)AC T L  ul>NFA	ac	14H	4N	1 GO	-4b 5  u4'f 1	137
ElS(DlNl ll<Of'ki.PYUFORfOL  tll>N Pf	7C	1211	4N	100	-4)7  .0511	1?o
1S(FLUUkOXY)CllfLUOROMETHAhE	H	4F	20	-11 9   04 3	139
lS(METHYLHYDhAZlNO)Ot.CA   kANE	:? C	,: 4H	1C;b	4N	-47!'  c10 ca	14(.)
RO lNE  A MONl il'l't.:	1t>	oH	111	- B4t C .02t.4	141
PO ON (p I.RE C kYHALH,E)	1u	()  Oo1tS	14,
EORON (A ORPH US)	H,	37   01) 56	143
i1v,RO C.A kb Ill E	4&;	1C	-221   0905	144
BOROl'-I NITRIDE	lu	1N	-,431')   07II 5	14
POROl'-I SL1.,RRY	55 3H aolu 25 2 C	(50	;'IAL	-425   fJS 36	140
RORON 0.i. lUE	2u	30	-4339   '.)6:,6	14 7
BORON (IF.ONA)	67t;	30	35  Ud45	140
ekOMINE	ENTA fLUORILlE	11:sR	SF	-627  .06<!3	14<;,
Af<Ol'llNE  FENTA fLuORIDE	1 tiP	5F	-So! .occ.,c	150
IH<OrllNE i'IONOF LUORlDE	1 bR	F	141  .0000	151
BliOflilHE  lRlFL I..ORH>E	1bR	3f	530 .1c12	152
8ROl"ilNE  lliIFL uORll>E	1 b R	'3f	446  .J0ll0	153
ETNEC	4t,	5C	6N	150	-4311  066'1	15"
BTNEN	4H	4C	t:N	140	39  .07J4	155
BUTAHZ (PHIL Lll'S INFO)	519h 3 .. 7e	oO			-21		 03, 5	15o EUT A NI:" ,2bI Ill F LUO RC'l.,M IN O)		4C	8H	 4F	2	3H	.ouoo	157
BUTANE ( i , 3-U I SD 1 FLU o:< 0 A fl! l NO)	4	SH	4F	2	-348 .uouo	 15d DlJTAREZ  (PHIL ..lt'S l 1-lF O >	51QH 34 7C	 80			-21	.ons	159
BUTYL S l LAN I:	12H	4C	1 SI	357	.oouo	16i.i
EUYYLNlT I.AMIN I: (l'-IOR: AL)	4C	1 CH	2N	20	-264   1.)365	161
Bu TYL Rui:BEk	dH	4C	-376  .0332	16
CALC IIJM  tORlD I:.	19 Ii  4 7C	dO	-Z1	 03.: 5	163
CALC lUI'\	ARBl CIE	?c	1C>1	-234  GI:\ G1	164
CALCIUM CARf:0 t.ATE (i.AC03)	1C.	30	1CA	-d!95	165
CALCIUM CHLOR lt,I;.	2CL	1CA	-1710  .0775	166
CALCIUM FLUOR I Pt	2f	1 C"	-:.722   111t9	I,7
CALClUfli HYDr-I DE	211	1C	-109 2  .uo14	160
CALCIUM  P.,lTk A Ti:.	1tA	2N	60	-o -'1	-1361\   UC. 52	16Y
CALCIUM  H:ROX ll>E	1 i.A	20	-c -o -r:	- ,1 d	.00IJC	170
CALCIUM  CUDE  (CAO)	1 C,	1CA	-,::711)	171
CANDELIL LA 'liA X	2C	4H	453   032 5	172
CANDELlL LA  wA X	2,	4H	-45 3 .u3Z5	17.3
CARSON b LACI!.	1C	(') .u631	174
CARbON lllOXlDL	le	20	-'137   03Y!.I	17;
CAR&Ol'-I D lSULF lDt. ( IIH E Ill)	1c	2	276 .0456	176
CARBOf\J l'i t.:NOXI Uf	1 C	10	-94 3 .57,1	177
CARSON ( bRAPH ITU	1C	r:J  0d i ti	170
CARBON T HRAC liLURIDc::	1CA	4CL	-216	17Y
CELLULO!) L	6C	1 OH	5C	-1417   0458	18(;
CELLULO l ACE TATE ( )	1't9n 109C	7i.v	-110 3  us 39	181
CELLULOS t. ACE TATE (CAReOPUL)	149H  1 19C	740	-1C79   0448	11'2
CELLULO!> E DIN lTRATE	6C	!!H	2N	90	-1144  .0599	183

CELLULOSE Tl<l ldlRAH	6C	7H
Cl:.LOHN	2C	4H

3N	110	-524 .0599	184
4N	- 1('01	H<:>

CE.RIU/11	-r
CE RI Ul'I h lTlilD i:	1U	N	-c -c -r	- oe .ooc,o	187
CESlU ,	1CS -o -o -r.,	"	C  Oo 76	180
CESIUM	(PURE  CRYSTALlNE)	1CS	'.l - 06 7o	18Y
C!:SlUM A ..IDE	1CS 3N	-12	 GCiJO	191.'
CE;; l Ul'I C M<BON Alt	1C	30	, CS	-821   15, 1	191
Ct.SIUM HYDRl:>t	1tS	1H	-1.1	-(i	-"	217   12.) 1	19.:
CESIUM P ERC lil vkA Ti;,	 HS	 1 CL	4U	-fl		-447 .1201	19J USIUM TUNG ST 1:.t. FLUORIDE	6f	1C ..  h		-116 U  .1770	19..

39













1..JWC TP 13037
CHLOillNt  TRlf LUORlH	1CL	F	-4!1C  06 5 2	195
CHLOIHNE	2CL	-76	 05 .36	190
CHLORlNt 11EPT wUDE	2CL	70	300  .0000	, 1
CHLORINE MONO FLUCJRI1H	1CL  1F	-2:a .0000	19b
CHLORl/H.  PEhT AfLUORlbE ( "'"  & )	1CL	Sf	-427 .oouo  199
CHLORINE  PEhT HL ORlDE  ( CL f 5)   1CL   5f	-464  061t2   200
CHLORINE TRlf LUORih		 HL 3F	 -4g .QOCJO , ,, 1 Ct1ROMIIJIII		11, R -o -C, -c -0		0 .,5'iY ,t".12 ClRCO LI l:iHT P IIOCESS OIL	32H  15u	-320  .02so	((13
CIRCO LU,HT P kOCESS  OIL	32H  15C	-3,0  .025')    (0"
COPPEk C LOhl lit	2CL  2 C1.,	-32'3  .1210	,0)
COPPER O UH	10	2 CL,	-278  .216C	.;(JC,
CCPPEk  C hl!OMI TE	30	1Cu	1CP.	 21 SC	?.07
COPPEK H YDROX .1.LH.	2H	zu  1CU	-1099  .1216	2Co
COPPH	AIDE (HYDRATED)	ZH	20	1CU	-1099  .,216	2'l'f
CUPRIC  O UDE	11.U	10	-4.3Q	(1lJ
COf'PH ( FliRI:. l.11YSTAL hE)	u	')  .3223	'11
CYAIOdl\lD E	1 (.	 2H	 lN	-o -"	 219 .cooc		.i.12 CYAhObAUt.YL  AUi.iE	 2C	2H	Clh		881	 OOC'J	'13
CYANO(.EN (GAS i:OuS)	2C	2t.	141'	c:14
CYCLCliH YL  AZ 11)1:.	6C	11 H	3N	207  .Ci.Ho	i:15
CHLClf'El1 lYL A llu	Sc	9H	3N	38 5 .o.3 :;3	'1 C,
C YCLOTE T kAl'lt. T hYLE.NE:  TETRA H"' X	81i	4C	eN	dO	61  .o6oti	217
DtCAD 180  kANE	6H   2il	(l .oon  '1 C,
DECA80HA r.!,	10	1411	-129  00339	,19
OE.KAii lAi i:.hE	1 Iii,	221i	4h	-381 .oouo	,ac
ClAHll,O   ,IBOk IINE.	2 tj  12H	ZN	-74 5 .oouo  a1
QlA1lh0bLANlDlh   NlTPATE	1 C   3	6h	30	-239 .oooc,   222
DlAMINOb iiANlD lNlU , A ZIDE (IIAZAL  2C   bH   or,	741  oO!i 1'3   a3
DH, HONI LH DE CAbOJ.ANE	1 )i, 1oh 21.	-4SC .OQ(JIJ .!24 DIAZ. I DOT klN.l T liAZAHEPTANE VATH		 4C 8H 12N 60		 458  0000	,::ZS 0180RANE.		2 ts	6H		354 .cooo  .:26
I) IBUTYL  fHTHA LAH	22H	16C	40	-733   J3 7('1	"27
DlllUTYL  HHAL ATE	575(. 7Q0h 144v	-754  .J37	22t
DIESEL u lL	22H	12C	-476  00254	'29
DIETHYL  l'HTHA LATE	12C	14h	40	-733	,!1.1
DlETHYL  TRIAi'! Her.	13H	4C	31'4	-149 00344	231
DIETHYL hE H  YCOL  DlNITII ATE.	4C	8H	21.	70	-520  004\17	232
DlfLUOROAIHNE	2f	1H	1N	-600  .0000	233
OlfLUOkOHE.THYLl:.NEbl OXYFLuCIRlO	1C	4F	20	-1121  .0433	2311
DlBORANE.	2b	6H	179  00158	c:35
DIETHYL  1-HYhA LAT c	1411	12C	40	-832	,36
OlETliYL  I-HT11ALAH	14H	12C	40	-n 2	237
DlbUTYL 1-HTHA LATE	12'	'2H	40	-733	,311
0 lCYANDl A/HOE	2C	411	4t.	85 .oscs	'3'1
OltYANO'  'BUTINi1,4	6C	4H	i:.N	641	0415	.:40
OlHYOIIONlTROhlTRl  l  OPYRlDINl	SC	411	4h	40	143	.0650	,41
DlN-PRO HL  A lllt'ATE	12"	i:.2H	40	-1h14	242
DIMETHYL A "Oh LITHIUM lOOlPE
OlMEThYL AM"O LITHlUH lOUllll	1LI	11	6C	19H	,1 N	-473 .ooco	244
Dl ETHYL  AM"Oh LlTHlUH IO lOE   1Ll   11 ,  oc   31H   1N	-463 .ocoo  245
OlMETHYLAMlt.E-bVRANE. ADIIUCT	2C	1 CH	18	1N	-516  .0000	,46
ttlt.lTRO  TCILUE H	6H	7C	i:H	40	-o20C	247
DINlTROP ENOXY  ETHANOL	8H  104t	2oh  750	-271 .0565	24b
OlhlUOl' OPYL  ACRYl.ATE	81i	6C	H,	60	-514  .0471	249
DlOCTYL	UPA TE	42H	ac	40	-733  .033Z
D lOC TYL	AZELA TE	48N	25C	.t.O	-l!55	.:51
DlOC TYL AZ ELA TE	it 811	dC		..o			- 5	2'2 DlTRI P!FLUORCAflllhO"ETHYLUREA		3C		2H	12f	8N	10	 -203   0679	253
DOIIECAHY DROOE t.iu,OMATEDIAllflllNE	10	18H	ZN	-5o4 .0361	254
DULC ITOL	6C.	14H	t. ll	-1741"  .0530	c:55
OYNAMAR  132/741.	970H S49C	11 ,; 1430	-1420  .0376	do
OYNAMliR	754H 4 .. St  2440	-12on   0420	257
DY11AMAR Hll-74 !	S42 H :, !.4C  80N-  810	-3ti0  .0360    251:1
E 1 '17	(A IIIXT1ikt)	4'-1H  133C	52N 2320	6AL '9CL	-552 .0604	.:59
EPOXY 2U 1	24H	16	4C	-b61  .0404	26C
40


NWC TP 6037
EPON c2o		24H	,1c		1tO				()	,61 HYTHHI T CL TE TAANlTkATE			4c		6H		 4N	120		395  oeiao	,62 ESTA NE	9o 7H 536t	121'1 1400	--91':l .03l9	 263
ESTANE b	SSH 302C   1N  100	940  .-0376	t64
ETHANHH lOL	6H	1S	-o -')	25  .0000	265
ETHANl:(l  ,1-Dl r.ITRO)	zc	4H	ZN	40	Zo9   GOOD	,66
ETHANE(1 ,1,1TR1NlTRO)	2c	3H	3N	60	166   JS S,	267
ETHAt. (1 ,2-131 f, DHLuOROH,lhO)L	2C	4'H	4F	 ZN	 -356 .0000	 26b ETHAIJE(1 ,2-bl f, DlfLUOROAMlt.O)G	2t	4H	 4F	ZN	-3111 .oouo	26
ETHANU1 , DI  TtTRA,OLYL)	4C	oH	dN	639 .oooa	au
6H	10	-o -o	-144C  .oouo	,71
ETHYL CE.hTRAL .1TI:	17C   20H   2   10	127	,72.
ETHYLi:NE	4H	289  0205	.:73
ETHYLENc  CAk CNATE	H	4H	31.1	-1576  .coco	271+
ETHYLENc DIHY OAAZ lNE	12H	2C	4N	346  0396	HS
ETHYLENI: DINI TkAII\INt  (ED NA J	OH	41l	40	-158   0632	,76
ETHYLENEblS(A lNObUANlDlNE.AZID	5C	16H	14N	496 .0000	,77
FAPETAIN	6C	8H	6F	6N	1110	318  oooc	,:;7 0
fAPETRih	6C	l:IH	6F	6N	100	261!  00 C, 0	279
FERA IC O lllDE UNHYl)IIOUS)	30	2ft	-1230  .1818	,8C,
FERR IC O lllDE HE,.,ATITE	2FE	30	-1235  .18 48	,81
FLOROX (CLF30)	10	3F	1 CL	-371  .06i:16	,82
FLUORINE	2F	82   0543	i:83
FLUORlNt  NITR All:	1F	1h	.)0	31   000('	t84
FLUOR.I.NE (LlQ ulll)	 2F							-76  0543	 28!i FLUORo-z,2-DlhlTROETHANOL'2	2C	3H	 1 F	 2N		o	 -741  OOCJC'	,86 FLUOROET ANE(1,1-0INITR0-1-)	 2C	3H	1F	2N	40	4b8  OOuO	 2 7
fLUOROTRlNITkUMETHIOE	1 C	1F	3N	60	-221  .0573	2!.\1:1
FLUOROXY TRlfL uOI\Ol'IETkANE	1 C	4F	10	-1769  .0000	o1:8v
FCUIAIUD	3H	1C	1k	10	-137(1   0410	29Ci
FREON 11 t:	Cil CGERli)	2c	6f	195	,91
GASOLINE (LHI uID)	46H  , 1C	-794  .02 5 7	292
GENPOL A-20	75H S55C  37CO	-111Cl	293
GlLSINlT f.	1!6611 744C	6N	6S	-401) .03U	294
GLUTAMIC ACID	5c   9H   40   1N	1610   0 !i5    ,9S
GUANIOlN t	 SH 1C 3N -o -o 288 .0000			 i9t, GUANAOlhE CAR ONATE	 3C 1 OH 30 6N	-1290	 "l.97 GUANIOlNt NlTkATE	6H   1c   4N  30		8413  0503	.:98
GUANI lNlUMhl iRAMJNOTETRAlLAT 2C 7H 9N 20	141 .0000	t99 GUANYLAL IDE N HRATE	1C   4H   bN   30		,6  .00(;0    .rnei
H C &lt.U ER (PAUL)	106H  71C   SN	-102	.)01
HEPTADYN t	811	7c	-1127   0293	\02
HEXANE	14H	6c	464  02 S 5	>03
HEXACYANC-3'HEXENE	12 C	6H	6h	862  .0444	,1)4
HEXAC1ANC-3'HiXYNE	12C	4H	6N	1045   04.S?	.505
Hl:XACYAN C.'3,5 -ocTADlYNE	 14C 4H 6N	 1146 .1.1406	 ..\Oo HEXAklS LlfLU ORUAMlhO DI Pk OP YL '3H 12F 6N 10 oc	 -315  C5Y	 .S07 HEXANE  (2,2,5  TRil'\ETHYL>	2CH   9C	537   021tb	.3".1&
HEXANlTROElHA hE  (HNE)	2t	6N	1 20	95  ca 12	JO\/
HMX	4C	&H	8N	80	61  .0686	31u
HTPS (Slt.CLAlk)	1031i	73c	10	13 .033.!	311
HY CAR	139H	70C	10	-121  .0339	312
HYDRA TEil AMIJ!O NlUM PHOSPHATE	3t.	18H	70	1P	-3010	\13
HYDROXYE lHYL CE.LLULOSE	35H	22C	140	-120(1  .C4b4	314
HYDPOXYL AMMONIUM NlTRATE(NdS>	'?N	3H	40	90!!	315
HYOROXYL MMONlUMPERCHLORATE	1CL	4H	1N	50	-497  o07b7	316
HYDRAZlN f. NlT  kATE	5H	3N	30	-531  OS \15	.>1 7
HYDROXYL A"MOhlUM NITRATE(N S)	2N	3H	40	-908	318
HYDIIAZIN E	4H	2N	376 .C3o4	3h
HYDRAZlN E AZ I lit	5H	5N	727  .0470	.szo
HYDIIAZ.114 f. CU t.CfOlifllATE	4C	5H	5N	579 .046Z	;iz 1
HYOR.HlN	DlBlilANE	21:1	10H	ZN	!iOO .Ci339	32i?
HYDRAZINE HYDiiA i;  (t.2H4. H2CI)	6H	2N	10	-,900 .0378	.323
HYDRAZlN	t:H kOf1)AM	Sn	1C	5N	60	-95	 0676	.)24
HYDAAZ1NEC1,1  ETHYLCYANOETHY	9H	!N	339  03 5 3	.325
HYO RAZ IN U2)8 C.liANE <Ii >COl'I POI.IN 0	!!ij	28H	4N	-60	.0000	J2b

4i


N-Nt; TP 6037

HYDRU lt. 1;(3)8 \.kAM.( 1 (')r.OfllPOUNO 100	,4H	6N	-1011 .coco	J27
It YD RAZ I h I:( 4) 8 I.ROE ( 1(') COMPOUND 1 Qlj	4/bH	Sh	-92 .0000	328
HYDRAZlh DlPEKCltLORATE 6H ZN .80 ZCL	-309 .01v1 '52v HYDkAZIN lUfll D lf'EIICHLORAT E	ZCL 611 2h !10	-296 o03o1 J.50 HYORAZlilUfll NlTkOFORMATE(Ht.F, 1C  5H  5N 60		-94 .0671    331
HYORAllhlUM PtRCHLORATE     11.L  Sli   ,N   40	-320  07 c,o   332
HYORAZOblSISO  UTYROhlTRlLE	SC 14H	4N	172 .0000	333
HYIIRUOl C AC Ill	H,11Sc;OUS)	1H	3,	16 5	.H4
HYDf<AZOT cTRAZ \.U ..:, , :,	:? C	4H	1I;	Hl4	.J0 'l	3.'S,
HYOkOCAR"UN  PCLY tR	2h	1C	-:n'I .o:n,	He.
HHKOblh  (GAS 1:1/U::.)	2h	r,	J 7
HYDkCblN  AZ 111 I:	1 r1	!	146C   JJ',14	3e
YIIRCl.c.l,  AllO L	1 Ii   : h	,,.3   00 ,)0   .!.'H
H'l'Dli <.l;I  CYMl lil;  (GASEOUS)	1N	1C	1r,	932  tz ..,.	J4u
HYDkvbl::i't  CYAN1Dt  (UQUI!I)	1H	1C	1N	'115 4  .CJ:HS	j41
IHDl'<ClbEh FLuO i,ll.ll	1H	1f	 jSli 1  OJ 7	4.!
HYDf,;OGEN  fRH	R11D1CAL	1H	5 ,CvO	J43
HYIIRObEh  PEHO AllH.  ( 100 i' U	2H	2v	1319   as 'JI\	.>4 ..
HYDROC.l:h PEkO AluE ( :i r, PC)	t'51')r1 572C	-1927  .04 3(,	45
ltYDkObl.h PEliO HIii:. ( 71J PC)	7461i S7S,u	-1004   04o4	.)4b
hYDRObEN PEKOi1lUE (Y( PC)	c,42H  , 60	-1439   usJ1	341
HYDRO{.l:.h  l'EI\O All>L  ((.ASEOU!.)	2tl	20	-950 .CiOOO	.)411
HYDKOl.f.h !.ULF Ii	211	h	-141  .07 63	34Y
HYOl'iObEN (CkYLUhlO	2H	 1068 .ov,6	l5u

HYoROXH lHYL  l".E THACKYLA'T E	1:-H	bC	o
H'IDt<OX YL  liAI> 1 CI.L	111	1v	-l,	-(I

_,.

-1,i:.O  04 ,o	351
591	 Jl,)(;(j	.)5 i:

HYDkOXYllofol11'E	311	1 N	10	793  .001.11.i	?B
H"DIIOX Yt. TIIYL  LELLULuSE	:S5H	.:.2L	14u	-120 r o04e4	354
HYDROXYTl-k lNAl  POLY UTADl hE  1iJ311	73C	11.l	13	.u3JZ	.)55
HY CAT  Cts k.hNET 1)	3611	29C	2FE	40   04 41	::so
HYCAT	lt'4Nt.T T>	6H	.:9C.	UE	It(''   04 41.	'557
l. DP (1.1. LEE)	3eH	19C	901:1 .0312	35c
lvlllC  AC 10	111	11	!Cl	-n -"	324   16 71	J59
IOlllNI:.	21	-c \)	wQ	-11	(1 .17 oO	;')6u
IODIN  PE:NTAFLUORlDE	5 F	11	-928  .11 ..o	J61

lODlNE  Pl-NTOX!Dt	so	21
1uD lN I:.  T hlCHL \.Rl0E	11	3C L -o

_,.

127  .17 32	:,62
-YO .1125	.)63

lOIHIFOIOI	(CH ,.5>	1H	1C	.51	-as .14 '+ 3	- 64
HON OXl Ot	30	2H	-1230  .18 40	36)
IkON OXl :ll. (Y LL.01o)	 2H	41)	2 FE	-1490 1318	.S6t, IRON	1FE				0	37	 367
ISO  OCTU,E	1611	SC	-470	;1613
JP4	(Llw LID  T Lll CJE T  FUEL)	17H	9C	-2111 .uz 54	369
JP5	(MON 1 STE WENS STANDARu)	19H	, oc.	-31!7  .02-.6	HC
KRATOh	4 tt	3C	 1073  .u:3'.o	371
kRATON  S l\'Rt.N E 1:1UTA1>1ENE	4H	3C	1073  .03 ..n	.372
IC RATON ( co-PO LYl'lEk)	611	4C	-100  .0342	37l
LAMINAC .. 116			555H 558C 171 o		-574	 J74 LEAD ACl:. lYL	SALICYLATE		14H	18C	!lO	1 Pl!	 -ES7	.H:> LEAi> CJXl Li 0	lNlUlol)			 4u		 JP			 262 .3206	 .57(, LE.AD bET A REC OliOLATE		 21H		 7C	 70	 1Pt1		0	 .377 LEAi> 0111 DE					1 f' I!		hl			 -2B		 Ho
LEAD 101) ATE	He	2.1.	60	267   1913	379
LEAD  SAL lCYLA ll:	10H	14C	60	1P&	-64  .03.37	380
LEAII  2E THYL  liEXOATE	::;4k	16C	4u	1PS	C	381
LEAD Z-E THYL. HEXOATt	34H	16C	40	1 Pil	IJ	382
LEAi> AZ.I. lit.	6N	1Pu	397  .0000	.383
LEAD 100 ATE	1P8	21	60	-267  .1913	384
LEAD Olll LIE (L lTHARGt)	10	1Pu	-235  03440	.38S
LEAD OX l ut:  (11\ASUCOT)	10	1Pi.	2l5  oi!8b8	.386
LtAD 1>10 XIDE	 20	'1Pu	-276  o33C:4	.587
LE D SALlC YLA lE	1 /JH 14C 60 1 Pl!		-84 .0 37 3110 LEAD Oltl i,E (P LATThElil TE)		20 1PL>		 -6 o33e!4 .389 LlTHIIJM ALUMI UM HEXA liYIIRlD  1AL 6H  lLI	-1417  C,4 Ci1	390
LITHIUM  ALUMlhU  f'EkCHLOk TE	JLI  240   UL   6CL	-645  0897	j91
UTHlUfll  LUMlhUM TETRA HYDklDt  1AL  4h   1LI	-690  .0331    392
42


NWC TP 6037

LITHIUM  AfolIDE		2H	1 Ll	1N	-194  .J.H.,;	393
LI THIUPI  1'l.IDE	1LI	3h	57 .ooc,o	394	\
LlTIUUM  klERYL 1.lul'I  HYDRIDE	1uE	4H	C: LI	-,908 .oouo	HS
LITHIUM  bOROH \'DklDE	1u	4H	1 LI	-, 131  .0240	390
LITH!UPI  <.ARl:ll DE	2LI	2C	-c	-r.	375 .(;596	:.97
LITHIUM CAR1:10 IIATE	21. I	1C	30	- c;oc .0762	39c
LITHIUM  tlCYA I\A 1lDE	:?C	1Li	3,	-120  .0000	99
LITHIUM fLUvR lDE	1Ll	1F	-!i62C,  09 39	4r,o
LITHIUM kYDNl !IE	1H	1LJ.	-,7,6  ,0296	401
LITHIUM  kYDNO >.Ille	1H	1 L.1.	10	-4868 .0917	4/)2
LITHIUM l\lTRA H	1LI	1N	30	-1670   0  59	403
LITHIUM  lllTRl UE	3LI	1 ,	 135 5 .049(!	404
LITHIUM HF<CH LOR ATE  (LJC L04)	1CL	1 I. J.	40	E54  .013 77	405
LlTHlLJM fERlO IIATE	1LI	40	11	49C .15'0	400
LITtUUM  (PJflE  CR YSTALINI:)	1LI	{I .01<,3	407
,  LP-33	14C  o55H  1070 121 S	-696  .04S.:i	40<)
LP-2::'S	416C  o46H	50	!!7S	-720  04 Ji!	4(19
l"11GNESlU,.. CPU f<E CF<YHALI Nt:.)	1MG "				C .Obd	41U MA 'h E S1 U	ALU lNUM HYl>RID	 211L	8H	1MG	-3o5 .u3 7b	 411

"'AGNESIUl'i  60R ll>t.	2u	11'11:1
fllAGhHIU"  CYA IIAHlDE	11'iG	1C

-47  097C	412
-r	937  .OOl'.10	413

MA<.NESlUfll FLU <iRll>E	2F	Hl1:1	 c:d6 2 .1 Oi,3	414
filAGNESlU HYO klDE	2H	1/111.1	645  05 ,4	415
MAGNESIU,..  NIT HATE	H,G	2N	6J	-o	-r	-121c:  a07:$1	416
fi!AGNESIU I' OllI l>t:	10	1,., I.I	J610  . 1300	417
MAGNESlU  PER C.HLOAATE	30	1l'I ..	c; CL	-63  .u939	418
MAGNl!SlU (NO t.kEACT nE>		1U3		0  Oo2S	 41', MAGNESIU I' OXJ UE	24!!1'16241:!U	.l567  .12 2	420
MAro  (UC)	1811	9C	10	3N	1p	266	421
N-&UT'l'L  fl:RkO Cl::NE	18H 14C	1 FE	, r, .04 30	422
MERCURIC  fLUO 111111::	2F	1th,	-39! .3216	423
l"EIICURlC  OXII> E	10	1 HI>	-100   4G 23	1124
"'ERCUfcOUli  All  De	ZhG	6N	z,;z  001.lO	4ZS
MEACUHY  (Ll4i1U 111)	111G	0 .4&73	420
IIIETHANE	1 C	411	 1271  .0153	427
METHANE	411	1C	-111a	421)
1'11:ThANOL	4H	1 C	1 CJ	 171!C .OZ61	4'2'11
fi!ETHOA YA ,..,J.Nc	1 C	SH	1N	1r.	-276  .uo:io	.,3 i)
"'I:. THYL ACHYi.AH  (LUia)	-HC	6H	4C	zo	9:i4  ,03c4	431
l'EThYL A LC.OHO L	4H	1 C	10	-17& 1  .0205	432
METHYL AJl:filOt.I A	5H	1C	1N	-216  .02 36	433
METHYLNl lAOAC t:.TATE	'!C.	SH	1N	40	-922  .OOLiO	434
MIXED HYDRAllhE FUEL 3	647H	93C 231N	297  0323	435
flllXED OJL IDES Of NU OC.EN	61N 1 C1o	"3	430
MIXED HY i:,RAZI "E FUEL 5	114H	 12C	4C.N	60	 149 .03o1	 i.37 MIXED liY IIRAl.I "f  FUEL  3	 647H	93C 231N		297  03 23	43b

"'Ot.l 2!>,..

!I	175N3'50	69  .04 '18	439

MONOBASl C AMM uNlUM PHOSPhATE	1N	bH	1P	40	 .3020   0651	440
MONOBASI C. CUP R lt	SAL IC YL ATE	14C	1 OH	70	2CU	-?C,Q	441

MONOEIASl C CUP RlC RHORCY LATE	14C	10H
MONOBASIC LEAD RESORCYLATc	14'	10H

90	2CU	-,n2	442
2 P13	-1900	443

,,.ONOBASlC  Ll:.AD SALICYLAT	t4C	1,1JcH	90	2P&	33 2	444
N P AMlhl	7H	6C	1N	-12c11  .03'9	440
l'H4SF4	1.b	1N	bf	 164C	447
NICKEi.	1td	')  , 3 i.15	44u

tll C Kt L O  l H	141	1 , ..
NlCII.EL C 11R&lD l	31d	1 C	-l)	-')

_,,

-773	449
s P.  ;: , 72	.. 5 ll

t-.ICK!ii.  C rLORI DE	?CL	1N 	-sco   12 -,	451
Nl TkOl:iEN	'211	-104  :l2'12	4'ic.

NI TROGEh TEH: OUl)E. (N204) LI"	2h	40
NI nous  ClllllE	7.14	10	-(	-o

_,.,

I')  .>517	455
44'.' .0714	45,.

NIHOC LLULvS	(1 .oPt.,:PCl:.l'tT Id 75 5H 6:C C 24 5 N r,,yQO	617 I U) e,J	 45S NllROuLYc.EAIN		3C	5 ti	N	90	 40/j .us 71.1	4)0

Nl TIIATE NlHIC Al.10

l1:1A S)

111	1	Sc,	5tJ9  I oonu	451:
43

NWC TP 6037

N l TRO AIU MlGUA 1,1u lhl::	1t	5h		St..	20		45 .(000	4'i9 NlTROETHA'1E	 2C	5H	1 '	 20	-44Z  .,H76	46u
Nl TROGE 1'4  f'El'tT 1.Xl D.i;	;;,-.	Su	-' ..'	-o .r	-vi  .)5 93	4C> 1
NITROGEN  TETR ALDf  (C.ASE OuS)	2N	40	24  .COf.i,:J	.. 6,
NITROGEN TRlFLlJUQID	3f	1N	416  .cv.;1	463
NITROGEN TRIFLuvRIDt	3F	1t..	-4.)C'  .:,s c,i:	464
lTROGUAr,YL  A .:111E	1C	2t-	(,,'4	2'1	54	 DOvO	46$
NlTROl'IH ?ANt	1C	3H	1N	20	-i.-3 .ooc,:;	466
NITRONlTRAMIN,PYRID1NlU  CLU4	SC	5N	1CL	4N	rO	7  Clo 'l	467

NITRONlU ALU LhUM PERCHLU AT	 1 '-L NlTRONlUI' PER CNLOkATE	1CL

6CL		?JN	300	1o r  Ji.i-JC	.. 6(; CIO			61	.u7-14	 4f-J't

NI HOP RO I-ENE t-OLYMER	3C.	 5H	1N	 20	-! 5?  00 (10	.. 71,; NlTkO OA l"lNE ( h, :111.-.ETHt'L)	 2C	6H	 2N	1 ('		16 .0036	 471
NITROSOL t!lND l:R	14SN 1.: $C	4tiN 1640	-476  .0515	47'
NlTRO YL  FLUO IOE	1 F	1 t,	10	-3,4  .)000	13
NlTRO:iYL 1-'ERC tlLORATE	1 CL	1N	5u	21)4 .07o3	474
NlTROUkE'-	1(.   3H   .3,.   30	611 100"1',"/1")	470
NITR YL f LUORI 11E	 1 f 1t. "1)	 -290 .:,01.,:)	 't77 NI fRYLTE TkAFL L.OROCHLOkAT c	1 CL 4F 1N 20	 -305 .COC''.l 't70 NITRIC AtlD (L l i.)	1h hJ Ju	 -65d .0542	,.79 NlTROC.UA t,ll>IN I;	 B   4H   4ti   20	-209 .oou:,  48(.
NA 1YL A LCQHO L	5L  12h   Hi	-922   +5(,lq	481

N-AM YL A LC OHO L	5C	12H	10
NPli Et-; L l'ORPH C.Ll lit	13H	, cc	1 t,

9Z 2 .OH,'1	4112
(')	-12	1Ci409	..a:s

NORMAL Ii tPTIIN l	16h   7C	--4	4h
N,N-DlhLlHON TYLAMlNE  ( l)l t:l/1  4'   9H   3N  40	13  ,04"!3   485
OZ/h2   (0/ f 1u,o05!!)    Ul9H,  '14v	C	480
O /H 2   UJ/f  111"'000:>.:I>	H9H  !,' 40	C	4/H
OCTANE	1 !i H   be.	-47C	486
OLEIC ACID (Vi:GETABLE OlL)Ht- 34H 18C 20		-723 .0323 48'1 OTTO FU L 2	(,,99H 430C Zh 5030		-696	i,9Ci OXAl'llD (EJ. LEO		4H   2C   ,N  20	-13U  .0602	 491
OXYCHLOWJNE TklfLUORlDE	10   .3 F   1 CL.	-371  10606    492
OXYCHLOKlNE THIFLUOklUE	10   3F   1CL	3o!'  i.16 69   493
OX Yi EN ( C.AS)	20	0	494
OXYr"Eh D lfLIIO HIDE	2f	10	15 5 10549	495
OXYbEN  I) lfLUO HIOE	2f	10	IS 1	490
OXYGEI ( LHIUI u)	20	-97 10412	497
OZONE	3u	631 .05d	49CI
Pc NT Ab OR ANE	(\iASEOUS)	5b	911	237  02 31
PENT At10i< 11NE	(LlQUIP)	51:l	9H	12 2   000'1	50(,
PENTALRl THRlT CL	5(;   12H   40	-1609 .as 23    )01
PENTAERYlNRIT,L  T T ANITRATE	5C	OH	4N	12 Cl	-401  .0640
PENTA  l&(HYORAZINl)UECA  ORANE	1t::u	HH	1 Oh	40  .aoi:io	50:.'t
PERC HLOri JC AC 11) (ANHYOROU&)	1CL	1H	40	-11'' .0639	)04:
?ERCHLOk L  fl..LOHXUE  (CLO 3F)	1CL	1F	30	5 0 10000	jO!i
PH FLUOR C Ml:T hALRYLAH	6H   &c   20  bf	-1!301'.' .06 so   ,oc

PERFLUOk CfOllM AMlDINt.  l PF F)	1C	4F
Pc.AFLUOk C<,UAN IDlNE (PFG)  lLH,)	1C	5f

,2,N..

-29C  .aooo	St'7
127	.0000	:iOo

PEIHLUOR <.vUAN lDINE (PFG) (GH)	1C	5f	jN	102  .oooc	;c,,;,
PERFLUOk<.PIPERlDlhE	H	11 f	1 t.	-17H  .0625	S 1 Ci
Pt RF LUOH CPI PE klDINE	5C	11F	1N	 1703   ooi::o	S11
PETI.IN	9H	5t	3N	10(1	-513  .USH	512
PETRlh	9H	5C	3N	100	-51?  .0557	)1J
PkEhOX Y	98-H 1:J4C	2(.N	750	Z71  o0H,5	514
PHEhYL A UDE	6C	5H	3N	694 o03Y3
PHO SP HOR LS (II lD)	1P	-130 .QH4	516
PLASTISOL NITkOI.ELLULOSE	755 h o:.:llc 24!,N 9'il00	-506  .059,;,	517
f'LEX lGLA S	i'H	5C	90b  .0426	)1o
f'NC	H51i  6v0C  24 N 1900	-sot- .05 0	SH
POLYMtTH L  Vl YLTET AZOLt	6H	4C	4N	(70	o04b2	21.
POLYPROf' LEh I.ILYCOL	1Zn	6C	-b55	:iz 1
PULYETHY LENE	2(.	4H	45 3 .03i:5	Si/,
POLY UR ET :ANE alhD R	Yli7H 5 .56C	12h	1400		-91 C .0379	 52l POLYACRYLAflllDt		3C	SH		1h		10	-1590 .uoc,o	524

44

NWC TP 6037
Pul YACR Y LONlT kl LE	3h	3	1N	74  .03Y!S	525
Pul YA I'll h l COIHOS I TE	Q(.  1IJSH	2 ,.	-316 .v342	520
PCiLYBUTAlllEkE  (SH	uUTAR i:0	6H	4C	S5 .Q3t:4	52 7
POLY BU TA OIENE  AC J. A (THIOKOL) 999h 6 71 C	19t.	160	-16('1  .033".I	52.:i

POLYTETR fLUOkOlTNYLENE	H	4F
POLYEfHYLENf.HYIJkA IkE  (P Eh)	2C	6H

,t.

-19)2  .oti .>"	529
4  \Jli (,, iJ	531.i

t>OLYPkOPYLEk  MLYc.OL	12 H	6C	.:o	-1!55	Sl1
POLYIHITA lllEt.E A A Y L 1 C AC 111	1C4N	70C	40	-114 .0!.57	53'
POTASUUI' PER CHLORATE ( CLu4)	1CL	1"	40	742  u9 1"	)3.)
PCiTASSlUt PERCHLOMATE CkCLv4)	1CL	1;:	4v	-71t2  . 910	) 4
POTASSlU"  IOOAH.	30	11(	11	-501!  .14tS	!135
4v	1S	-1906   :)9 6 2	) ! 6

PCTAS$1Uft	11(;
POHSUU,-  A11A LbAllo	11c.	1th	-o

_,,

C .ei5on	B7
-4	.uocc	J3l:I

POTASSIU All j,1	h	3!-l			5	.0736	5!9 POUSSIU I' CAR i:!ONATE		1C	 30	211.	-1495   Qlj 77	 >40
PvTI\S:,11.11' CHL CRlDE	1CL	1K	-1397  .0717	)41
POTASUUI'. FER "IC YkAtHH	3K	1Fr.	6C	6	-r::'	126  .06 4	542
POTASSlUI'  HYO lclH	h.	1H	-o	-o	-339 .0516	)".3
POTASSiu;.  NIT RATE	1 Ii	30	1K	-1167  .o7o7	)44
POTAS:illUI' 100 All: (1(103)	111.	1 I	30	-568  01405	545
POTA SSlU  PERCXlDE	211.	20	(..	-o -1'	-1071  .ocoo	)40
POTA!:SlUt' SUL UTE	40	1S	2k	-1966  Q9 t:>2	54	7
POTAS:"IU I' SUL flllE	2K	1S	C	-o -,"\	-)07  .C,652	54b
l-'1<0PANE	Sh	3C	-591	54'11
PkOPYL  h lTRAT I:	7C	3C	1N	3C	- 14 4.298	:iSu
PFiOPANE( 1,10 lhlTr<O)  CLlWUlD)	H	6H	z ,	41)	-297   04S 5	551
P Ii OP AM. C 1 , 1-D	1 N1 HO)	(GASHUS)	3C	OH	ZN	41)	-1t  6 .ulH.,	5 S ti:
PkOPANE( 1,1,1 HtihITRO)	'.'. C	Sri	3N	o	-157 ,o J:	553
Pi<OPANE.C 1,1,1 ,3-HTt<ANlTkv)	H	4h	4N	i!O	172 .GulJC	;,54
Pf<OPANE( 1,2-Bh	DlFLUOl<OAIHtn,)	c	f,H	,. F	2'1	-349  '.)01.Jj	5 5 !i
l"tiClPAhU 1,2-& IS CllFLUuRl.l.Al'olijO)	{.	6H	"F	n	-294  .uouo	5 6

PkOP,\lE ( 1,3-D lt.1TkO)

6h	iu	4('	-3 9  C4b'>'	55?

PROP .NE ( ,-Nl T hO)	3C	7H	11, ,o	4Y 1   u3s s	550
PkOPhl;( ,2-0  Huno)	3C	611	2,.	40'	-3:H' .04ti9	55 9

PkOPYLlNc POL uL CUL DlA\.RYL Vi2h	4C	1',(J
PhOPANE ( 1-NlT 110)	c	7k

- 1C,(J('  .OH9	!:>6C
20	-4H	 03 S)	>61

PltlUINON lDI(J)( lHl	4!4 C  4Z4H  14 0 145N	-100  .vsvs	>6,
DX(Hl AtYOROlRihlTkOTRlAZihE)	H	6H	oh	60	66   C6 56	563
FU H l Mi  IH l A l C ACID  (14t.02>151H  165r-. 47111	 -65 4 , 05 o7	564
Rt 11 FUl'll l\b NI lRlC AC ID'( :ut.:.Jd >:15h 114N 3140	-544  ,05c,7	)65
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46

NV-IC TP 6037

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46

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47

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TR l'<LTRl.iLkD E,llHAN	,_ : , I. L ,' A)	.;; .. : c 1 r'il	-14	1 I':,
Tl<lNlTRv! THAi\l:.	 r ,: 1C 0;.1H ':;;ilv uC ,	 1/H	1 "<1.;) T l EThYLAMMOhlv  ruTt>ATl	l,'iH, U '.:H OQ3u c 2>,	-t-7:,	 1... I
TrilcTnYL .-( G L Yt OL 1,1I ITl<11Tc	.. :ieir. C12H cu \,I G:'2	-tS 4	1 .=)o
TkLM[THYLOLPRl.PA l	'.'1 I. I. 14H  LS.: 0	B:S"	1..,r,
T!i I HhYL A?,11,	1-: .sc (15h  ':,(!, 1,	4',G	1 Jiu
TkIEThYL CIHl'Tl:	:.,1 Z i; 02 ::t1 :j7v	-12,11	1.J1'!
Tk 1 ( 1 ( ETH Y L)  AZ lF l ll 1 I. L) ., L',  1C  u.: i'H  1.u:i 1.,  J1.:H	b4	1:.11 ..
N,ENE	'.'	1.,;13
T I lTROlT Y llAvXYElHYL ll AG:4c  G ,.,oh  (1, 1 U  uC ot,	-7 5	, ., 14
1'H,t	r-,	1v1
SlElii'\		h		1u		..		t;	1,:;1 o F l.iC:i	-e Sr,	14H Z31o	5 At,		$'!	 1..1 7
PiiOPYU.N L	?c	lirl	11.::	1 _;1.:,
Nl TROi>E11 l>A:,		2 Ii			l	1 ., 1" tll El SEI\  t0"'PULNII	1 c	!.H	-1 l,4	 h,?C
N02 (bA:.)	1I	20	174	11.? 1
lf..O Ft 1 TAC A I! t: 0I'< Y L	1 FE	(.	o	2t7	1 .; 2,
RP-1  (RF L)	1Y 5 H 1  CC	-::e 1	11,,,2 3
CI: S 1 U,11	lTRAT t.	1CS	1 t-,	:;u	-<,2 5  -13.>1	1.i2,.
Tl,T	71.	3I	ev	5 f,,	7'J  i: 5 ,., 7	1u2
Nv!db	'- "j'c,H ,:  ,:V  1e 1 	- :,.. 1  ,j!:, t,J	11.12e
OTTO 11	471C  o7ot1  ssn  15 5 	-696 .C'452	1LH
'10S 20:s	;41, 4 'ft1 ,3 7.u 15'H	-1571)  CS.., 1	1 u2,:,
OSCiL l	.H'.1h 411,1,1 1 u C ,,	7:)CL	. ) ;'..:, 1  l,)b 1 ,1	1 u3 u
lHCi-:11,t  (1oA )	2 ufJ	4o	1..31
H't'Oi.01ot,, bRu , lOl	(b S)	1t1	1:.,"	1UQ	h;32

OTTO 11	i:74'	2 H  .HcO	C,4	-f3b  .04!12
DlCAl3URII r.t A	1 r;J	Hrt	i;I;	-11'ilf.'

,1.u.'H,.

DECAElHA l'.E b	,cs 1 r.,::'	1 . t1	-t.21.	t.,B
f'.l TE Tl<A,L I.LE	2 (.	l1'	t1	79-.	h o
Mi.,L'fb1> 1, LI'! lR J.0,'1i.lE	H,O	::lJ	- 125 3	1..,37
bf,Ol'IOTC<l FLUOh 1,,"'I: THA,,E	1 C	1 b"	:, F	-P01	11.?o
Tki:tH,	(.	.d.l	)H	7 	-Cd   ,;7 U4t	1	'.t
fEklOT kl UR(JX ANi:: (i:'1 F)	er.	60	td	571	 Jbee	1. 41
Ah OWlUMl l ITRUI ll>AlOLE(AT	!C	6J	e,	-16	 06c2	1l.4'
THlCkUL  lP-11-.:::Slt+ ("' ()  FE)	i6Ch .:: 2u	1t"5	c,: CL  e S	'."3	1,4J
A?,l'IIJkl U , bl Li.,UKlDE(Af+LlW H J	5 h	1 r,	d	-.:.1 Q	 t_ 4 ..
,04  lNll, IJ!S I,)	? r,	4U	-51	 051.,	1. 4 ;i
t-.CiRMAL Ht: XY1. (.A IJOPA E	C. C	4;1	1 r. i.,	-Jyl<  e'J37	1 ..,4 e,
FL'. POL HER	(u,tH:ILU		'IV	6C		11,	42H	 -127  ,ji, 1Y  1		,, 7 F1 747	(SH 1:)		1; t	 ;\)	HH		-1!vr  . 4	1L4u
SYLt.,Akli	1 S l	1u	t. H	- 1.:.o':	1 .. 4 <,
I l TC 0 F 1 -,,.4 7  (.lu S)	1 I..	50	1 H	-1:.1!'   J...\(	1u5i.
ul l'lE R AL lDIEPI.Jo.1.iL9S NEIi I: .I."- '	Y C 17itH	1Su	-SL".'  1.J 4 '5	11.51
R45  HlPu  lUTC )	01h ,;,, ;,4C	6u	5  ,:,3 6	1 .,5,

52





Ol I Si.I i. )ANAT i:. (0Lll)	.>
ISOoUTYL 1.H1Zl: r.l:.


NWC TP 6037

1211	.:.,..	,o	-!!,4  :.31	, ..,53
Hn	-124   v:31.\	h	..

N, ti  Dl !lRO Oi NTA THYLEhtTET	5 C.	1,1H	t	20	Zo,9.

.;545	lu :>

Rl,. ;INE
kY0RAZl1'1	Dlc, C.kAt-.E (J OS)	2'""	1 ''"

,..

1u5o
5v2   )3 4?	1'.1 7

HTl'u/f,uN11Tlv	(JO!))	t 6C  i7on	,. 13fl	- ,;:  j3 ?Y	hi5o
HlNITliOt.THYL  (;Hll10C11fcbOt.AH	?(.	CH	12h	'""	- F	.Joc.,4	h,'.i.,.

SkELL Ef CN o 1 !;	: H	.:.411 ALUMihU i  TkJO ).1H  T1..Xt1YDflAH		?11L		co

'<".H"

-3,'7   4J,;	,	ou
 .>"34   Jc 74	1	,,,1

LlTHlUM  t:ROX llJ	ll.I	2\J	-  3:J   ;,i.)) 3	,  ,16'

Al'll'IOt,lUI',  5- llkA lNUTllfcllZUL	, C.	71,	;,ri	2n	2a	 u5 ,jc.

,1Iv,,.6.,..>.

A TETKALC,LE P1.LYUKETHAl,E	<it;.9H SdC	1? 5,.i	..''	-39    ,j4,')
,:,.5	c61C  Y't'fh	11,	'iC'	,.n .i:,;5, S	,,.,6 !,
NC.A ((. l)	4 5 C y46H 15',U	 1J6o	  j 7	1ut>o
ZL 32J	c,(  (. ',c.,\lH  2 "'	9'JO	-579  .0313	1u67
I f'O I	12L	1 t\H	2N	20	5u1 ;:,.s ;,4	1 .. oi:
ERL0510	15c	1C)n	H,	40	-1o 7   4 .>'	11,,t,.,.
CASTOR o lL.	Ci?<. 111 H	\jl(,	-e,.a ov34o	1._ 7 u
At,	4H	, 1	.:,u	1C6 .:.6 .! 3	1 'J? 1
ADHl.:a	14 o C :>16h 21 .. r. Z<,.SC	 1i:72  '.:b .:3	, 1,
NC.	1c	4i,	4N	,!(l	-: 1 i: Jo'.;	1v7.>
'l'A<.N	1C:	9h	7t;	3C'	,,1;1	11.17 ..
Gt.		1c	t.h	4t,	?Cl	-75" , 051.:,	 h,7:i GLYOHL.  t.1DkA LlH	PUL YMf R	 2C	 ,H	 2r-.			Uf.	 u3 5"	1. 170
OitTT	4C	1 IJH	161,	t.47 .csn	1v77
HtXANlTri (. Ef,Z t.N	6C	6N	120	12   0717	1070
l'IIANGAhES E	i?1N	0  .25'i19	1079
PEG40Ci0 (CARE, CwAX)	2C	4H	1 0	-1056  .'J4.3S	1080
BITRETRA ,OLE	2C	2H	vN	7Z5	1081
CHROMlUK CARB UlYL	JAX7 I :i1 bl:!	1CR 6C	e:O	-1170	1'182
Ml Yiil>ENLM C.A kb01'4YL JAX78/516!i	11'10	6C	60	-6ii9	10 .3
TUN!iSTEIII CARB CNYL	JA)(7':./5161:!	1w	bC	60	-645	1(184
SODlU1': A 2l!>E -tTE.FLO,, (STOIC.H)	1C	6N	2F	2NA	-478	1085
CATOCEl\it	C: 7C	32H	2 FF.	115	.0414	1080
GtRTV-615/A+b	2C	6H	1SI	10	 1888 .u372	1087
HTP&  (AFAPL VARlAhT)	654C  9b8H	tN 200	12!	 0332	1080
CHRO!HUM OCTOATI:	1CR 24C	4SH	60	-506  , 03 61	1089
F1?8C	160C 255H 1000	-1297   043	1090
Hfl'"l	!! C	12H	20	-717  .0375	1U91
HC434	669(  9't9h	1N	130	-16   0327	1IJ92
IIINA	7c	8H	,N	20	49	.0..33	1(193
f'lAR 6!>8	40(.	46H	BO	-696   041c;.	1v9 ..
PCPC2,.0	64C 9Y9H  ZHO	-1393   03Y 5	11.195
PCP0301	564C 999H 2170	1393  .0396	1090
PAPl	22 4 C 155H	270  '7N	-202  .0446	11)97
POLYMl:6 1000	4C	8H	10	-!!74   03 5 5	1u9b
POL01EG ((JOO	4C	(lH	1 0	-674  .o.3s4	1099
POLYSTYkEhE	Be	!SH	1(16 .0379	11'lu
R1o	624 C 999H 3740	-1364  .0326	1101
TATil	6C	6h	60	6H	-143   06Yts	1102

R4SM	t6 7C 999H
HAbOXOL  p	13(	1OH

,5,0,

-3	.0433	110.3
-41 .0.379	1104

H:OGN	6C.	12H	eei	2N	-645  04b0	11O!i
THERMO	c	0 .C7C4	1106
LACQUER !;lTRO CELLllLOSE	c.ClOc 774H 2Z6N 95ZO	-66'5 .0599	1107
HYLE !;.	(Hf	EST lfl'ATEO)	15c	22H	i:N	20	150  .0306	1100
C5H10N14to	( ..  I))	5C	1CH	hN	80	,479	1109
GLYCIOYL AZlO t	3C	7H	10	3N	5o4 .0470	111U
LEAD STY PhNATE	1PB	bC	3H	3N	c.o	205  .1091	1111
CALCIUM CHROMATE	1c.A	1Ck	40	 "111  .10 ..4	111Z
E:ARIUM Ct.ROMA 1E	11:1A	1CI<	40	1347  , 162 5	1113





53

/





NWC TP 6037








Appendix G
PEP AUXILIARY PROGRAM

     In theory, the thermodynamic data for the combustion species could be put onto a magnetic tape and the SEARCH subroutine of the propellant program made to digest this information. In practice, it was decided to "predig1.:st" this information with an auxiliary progran., which is called PEPAUX. There arc several reasons for this other than the fact that binary rather than a BCD tape may be produced. These will become apparent as the description progresses.
     PEPAUX consists of a somewhat small program deck followed by two sets of input cards. The first set contains Holerith information and is somewhat permanent. Since this first may be consldered part of the program <leek, it will not be described in detail except to note that at present it contains
74 cards and that the first 47, which contain element names, may be permuted in any order. However, the order determines the precedence of the element in the molecular names. Hence, if H precedes C, methane will be denoted l-14C: otherwise it will be denoted CH4. As can be suspecter! from this, PEPAUX generates automatically the Holerith names of all combustion species.
     The second and main part of the input to PEPAUX is the thermodynamic data for the combustion species. This contains three card sets for as many species as desired. The fin.t card is a species identification card, and the second two contain. the data itself. The number of cards in this group is 3n + I, where n is the number of species, An e'xtra, blank card is placed at the end to signal the end of the input deck.
     The identification card cont:.lins the molecular composition of the pertinent species and phase. The composition consists of as many information pairs as there are elements in the species. The information pairs begin in column 48 and repeat the format (A ,12). The first part is the atomic symbol commonly used by chemists; the second is the number of such atoms i:1 the mol,icules. For
example, AL 1 CL 3 designates Al CI 3. The phase of the species also appears on this card in column Jo. Other information on this card, such as name and molecular Miight, is not processed.
        1 he two data cards which follow have a format compatible with the JANNAF thermochemical data in floating point form as follows:




where

FIRST CARD
SECOND CARD

L1(end in 13) L2(end in 26) L3(end in 39) L4(end in 52)
L5(end in 13) L6_(ei.d,in 26) L7(end in 39) Lg(end in 52)

cP = I1	+ 1/2(r) + L302 + L4 )3 + L5e2
L6 is the integration constant for total enthalpy (kcal/mole) L7 is the integration constant for entropy (cal/rnole/K)
e is T/1000
(Lg is the heat of formation and is not used.)
65













NWC TP 6037

     More thermodynamic data is permitted to follow the blank card. Another format is used for the second group of thermodynamic data, which is described in both NAVWEPS 7043 and NAVWEPS 7609. It will not be repeated here, especially since the JANAF fits have become generally accepted. Some remarks on PEPAUX operation follow.
     PEPAUX not only generates Holerlth names for each combustion species but also adds the symbol $ when ihe species is solid and the symbol  when it is liquid. Plus and minus signs are added for ionic species. However, only the leading six symbols are available on the output tape for the equilibrium program.
     PEPAUX reorders the species so that gases come first, and condensed species follow on the output tape. This saves computing time when the equilibrium program utilizes this tape.
     PEPAUX automatically deletes and edits. Species w!lich are repeated are deleted and noted in the output. This provides a method of updatin6 the thermo data files. Newer data is simply placed in front. This way, older data in back Is deieted. If the input deck becomes too large, the redundant
data can easily be removed by studying the previous PEPAUX output.
     Logical tape 12 is written by PEPAUX and the plastic ring is removed. It Is used by the equilibrium program until an updating effort is required of PEPAUX.
     If one is using thermodynamic data supplied by NWC, the following peculiarities should be noted. The symbols UI, U2, U3, U4 and US are fictional elements that have the same data (except atomic number internally) as Be, B, Mg, Al, and C. Since only elementHY species appear, this allows one to consider problems in which these elements do net bum. If one want& to know what happens if 10% of his aluminum does not burn, he inputs 90% of his aluminum as AJ and 10% as U4.
     The JANAF data was fit by Howard Shomate at NWC and supplied to Harold Prophet at Dow Chemical for further distribution. Shomate was not always satir.fied with the fit and sometimes spliced two fits (over different temperature regimes) together. In these cases three groups of three cards appear for a single gaseous species. The first is the single flt and is ignored by PEPAUX, which picks up the better fit represented by the two regimes on the following six cards.
The PEPAUX program and input follow.




















66

NWC TP 6037


-ASGtAX CRUISE*PEPAUX//21734
-USE	12e,CRUISE*PEPAUX
-ASGtT A,F2///256
-USE 28,A
-ASG,T 8,F2///256
-USE 29,8
FOR,IS	P&PAUX,PEPAUX/A
         COMMON /PAUX/ ,H:11011, Hll10lt21 INl11)1), '>fKl50,21t KN1501t JNl7) C UNIVAC 1108 VERSION, FORTRAN IV
1fJEl71 0UTi22lt SPEC15J, 15151 PARAl201,f'DUNOl2,77771 JD, NJD INTEGERS
1 PORMAT 11413 12Xt 11 lSXt 111	0070
3 FORMAT 112, 2Al 111	0090
4 FORMAT C2Altlll	0100
5 FORMAT CAl,U I	0110
I FORMAT 118', 2A6	161
9 FORMAT ClH 315, 2X, A61	0150
554 FORMAT (7CF3e0,1XtA61t 12/ E12.0,F6.0,E12e01
10 FORMAT C15H0REOUNDANCY IN 2A61 REWIND 28
REWIND 29
DO 11	I  1 t 97
11 READ l5311Elllt Hlllll Hlll2lt INIII	0190
DO 2	I   1,22	nzoo
12 READ l541HKllll HKII21 KNIii	0210
DO 13	I  lt5	0220
U READ I 5 t 5 I SPEC I I, I	IS11 I	0230
CALI. SUFFER 11,0,0,0.,0,0,0.1
Hll98,ll  SPEC141 Hll99,11  SPECl51
Hil98t2l  HKll,11 Hll99,2)  HKlltll CALL SHOJAN
CALI. NONJAN
LIM JD+ NJD
00  110 IC.   1,2	0730
REWIND 28
REWIND 29
DO 108 l  1,LIM	0750
READ Cl981	IC.HASE,	REDUNOlltllt REDUNOIZ,11,S
READ 1201 l,.'llL.I, JE(Llt L  171
102 READ 1291 IPARAILI, L  1,91
103 READ 1281 (PARA1Ll L m 10181
 WRITE 16t66661 KHASE, REOUNDlltllt REOUNDl211 CJNCL)t JEii.it l L  171 IPARAILlt I. 1181,S
6666 FORMAT (15, 2A6, 9X, 1413/ 9E13e4/9El3e4,151 IF Cl eLEe JOI GO TO 1Q7
l F CK e!Oe 2I GO l'O 107
104 LII  ll	0820
IF CJEll! eEO. 551	GO TO 107
DO 105 J  ltLII	0810
IF IREOUNOCl,JJ - REDUNOlltlll 105,106,105	0840
106 IF IREDUND12,JI - REOUNOC2,lll 105,109,105	(18!10
105 CONTINUE	.	0860
107 GO TO 150,551, K	0870
50 IF IKHASE - 11	1oa,,1,108	0880
51 CALL SUFFER 12,KHASE,S,REDUNDlltl)t JN, JEt PARAI
GO TO 108	0950
55 IF IKHASE-11 101,108,51	0960
109  WRITE 16101REDUND11,I), REOUNDC2tll	0970
101  CUHTfNVE	098t,
110 CO"!I 1 NU!'.	0990
KHASE  -1
CALL BUFFER IJ,KHASE,S,REDUNOCl,11 JN, JE, PARA)
CALL KINDAT END FIL! 12

67

NI/-.JC TP 6037

REWIND 12
WRITE 16'64201
6420 FORMAT C29Hl PEPAUX WORKED SUCCESSFULLY!
CALL EXIT	1040
END	10,0
-FOR,IS	SHOJAN,SHOJAN/A SUBROUTINE SHOJAN
C     SUBROUTINE TO DIGEST JANAF DATA AS FITTED BY HOWARD SHOMATE$ COMMON /P UX/ IEl1011 Hll101t2lt INC10ll HKl50t21 KNC501 JN(71 1,JEl?lt OUTl221 SPECl51 1S151 PARAl20)tREDUNOl2t77771 JD, NJO DIMENSION CRAZECll
DATA CCRAZEIII I 131/ lHCt lHGt lHL / DIMENSl()H HOLCSI, ELMl6t21 NAl61
INTEGER S,SA
l FORMAT C5A6t SX, Al, 11Xt 612Al, tzlt lX, 161
2 FORMAT Ill, 12A1t 161
3 FORMAT C4CF13,0lt F5.0, 3Xt F5e0t 8Xt 151
4 FORMAT (7H0MJX UP 2191
JC' ll  Q
JNI 7 I 	0
101 READ 15,11 IHOLCJl,1151 PHASE, ICELMll,Jl,Jlt21tMAlllt1161tS
102 IFIRSl' 	0
103 DO 11 I 1,11
11 OUTIII  SPEClll
IF INAlll ,EQ, 01 RETURN
C     IF NO ATOM COUNT, SHOJAN IS FINIISHED, JO JO+ l
INDEX 1
00 9	I  1 7
JNI I I  o.
9 JEC I I  0,
DO 17 I  lt99
00 16	J  16
C     COMPARE HOLERITH WITH PERIODIC TABLE, IF IHICltll ,NE, ELMCJtlll GO TO 16
K  NACJI
IF I I GE. 981 GO TO 12
IF CHIIJ,21 ,NE ELM(Jt211 GO TO 16
OUTtlNDEXI  Hlll,11 OVTCIND!X+ll  Hlll,21 INDEX INDEX+ lNIII OUTCINDEXI  HKIKtll OUTIJNDEX+ll  HKIK,21 INDEX INDEX+ KNIKI JNIJI  K
JEI J I  IE I 11
GO TO 17
C     ATTACH CHARGE APPENDAGtS,
12 00 13	L   ltK
OUTI INDEXI  ELMCJ,11
13 INDEX INDEX 1 JNIJI  K
JEIJI  0
IF II ,EQ 911 JNIJI  -K
GO TO 17
16 COHTINU
17 CONT INU!
IF IJElll eNE, 01 GO TO 18
OUTC 21 11 OUTI 1)
OUT t 11  lHE
C     ATTACH PHASE lDENTJFICATION APPENDAGE.
11 KHA.SE 	2
IF IPHASE eEO, CRAZEllll OUTIINDEXI  SPECl21
IF IPHASE eEO. CRAZEl211 KHASE  1
IF !PHASE ,EQ, CRAZEl311 OUTCINOEXI  SPECl31 WRITE 129,21 KHA.SE, COUTIII, I 1121, S

68

NWC TP 6037


    WRITE 1211 IJNILI JEILI L  1,71 87 READ 15e31 A,B,CDTLTU,SA
IF IS tNE SAi	RtTE 1641 S,SA READ 15,!I E,F,G,HtTLTUtSA
IF IS ,NE, SAi WRITE 1641 S,SA
READ 15,11 IHOLlll,1151 PHASE l(ELMll,JJ,Jl21,NA<IJ,116J,S IF IS ,NE, SAi	GO TO 89
IF IPHASE ,NE, CRAZEl2ll GO TO 89 IF IIFIRST ,NE, 01 GO TO 88
IFlRST  l GO TO 87

81 WRITE I 21 I
READ 15,31 IF IS ,NE READ 15,31 IF IS ,NE WRITE 1281
GO TO 101

ABCDEFGTL TU A,e,c,D,TLtTUtSA
SAi WRITE 1641 S,SA EtFtGtH,TLTU,SA
SAi WRITE 16,41 S,SA
ABCDEFGTL,TU

8 WRITE 1281 A,e,c,c,E,FtGtTL,TU WRITE 1281 A,e,c,0. ,F,G,TL,TU GO TO 102
ENO
-FORtlS	CONVERtCONVER/A
SUBROUTINE CONVER (PARA, A,e,c,D,E,F,G,TL,TUI
C     SUBROUTINE TO CONVERT OLD PARAMETRIC FO MS TO NEW PARAM!TRlr. FOR S.
DIMENSION PARAl201 A PARAl31
B  PARAl41*1000,
C  0,
D  O,
E  PARAl51/l000000e
F  PARAlll + PARAl21 - PARAl3)1000, - PARAl41*4500000
1	+ PARAl5J/3000,
F  F/1000,
G  PARAl61 - PARAl!J*ALOGl3000,J - PARAl41*'000,
1	+ PARAl51/4500000 + ALOGll000,J TL PARA17l
TU PARAIII
RETURN
ENO
-FORtlS	HONJAN,NONJAN/A SUBROUTINE NONJAN
C  THIS SUBROUTINE PROCESSES NON JANAF TYPE DATA ACCORDING ro DOW
C   o  AND OLD NOTS INAVWEPS 70431 FORMATS,
 COMMON /PAUX/ IEl1011 HlllOl,21 lNllOll HKl5021 KNC501 JNl71 lJE171t OUTl221t SPECC51t ISl51 PARAl20J,RE0UN012,77771 JO, NJD DATA ELECT/ 6HEEEEEE /
1 FORMAT (1413, 12X, 11 15X Ill
2 FORMAT I 18	l2Alt 161

6 FORMAT 14El3e01
7 FORMAT ,6E9e6t2F6.0,111 NJD  O
DO 99 LIM 1,7777
00 98  I  1'18
98 OUTIII  SPEClll
READ l51IIJNIII JEil> I  1,71 LEVELtKHASE
IF CJNlll ,EQ, 01 GO TO 100
C   ,  IF NO ATOM COUNT,SKIP OUT,
NJD  NJD + l
29 IF IKHASEI	30,3'1,30
JO READ 15,61 At Be Ct 0 E F, G TL  291
TU 6000
JAN 1
31 f A o ff,11,PARAl11, 1. 1,11,KHASE,IPARACI1,1  9,161

0120
0130
024(1
0250
0260
0270

0290

0310
<,320
OHO


69





NWC TP 6037


JAN  2
32 INDEX  l
00 17 t   1'97
00 16 J  lt7 IC.IC.. J
IF fJNfJII 141714
14 IF CIEfJI - JEIJII 16t15t16
15 OUTCJNDEXI  Hllltll OUTCINDEX+ll  Hlll,21 INDEX INDEX+ INIII IC.  JNC JI
OUTCINDEXI HKIK,11 OUTCINDEX+ll  HKIIC.21 IN0!X  INDEX+ IC.NIKI GO TO 17
16 CONTINUE
17 CONTINUE
OUTCINDEXI  SPECIKHASEI INDEX INDEX+ ISIKHASEI IF fJElll eNE 01 GO TO 23 IF flNDEX ,NE 11 GO TO 11 OUTCINDEXI  ELECT
11 11SE Asi1JN1111
IF CJNIJII 19,2321
19 DO 20 I ltlAB OUTIINDEXI  SPECl41
20 INDEX INDEX+ 15141




0370
0180
()390
0400
0410
()420
04!0
0440
0450
0460
0470
0480
()490
0500
0510



0530
0540
<'550
0560
0!170

GO TO 23
21 00 22 t  ltlAB OUTIINDEXI  SPECl51

0580
0590
0600

22 INDEX INDEX+ 1S151
23 IL  MINOIINDEX-6r61 IL 1
tU    IL. + 11
WRITE 12921 IC.HASE fOUTfll I JLtJUlt NJD
WRITEl281 (JN(Llt JEILI L  171
IF (JAN eEQ, 21 CALL CONVER IPARA(lltAtStCtDtEtFrGtTLtTU)
WRITE 1281 ABCDEFtGtTLtTU
IF (JAN .ea. 21 CALL CONVER (PARA(91tAtB,C,D,E,F,GtTL,TUI
WRITE 1211 A,e,c,D,E,FtGtTLtTU
99 CONTINUE
100 RETURN
END
-FORtlS	KINDATtKINDAT/A SUBROUTINE KJNDAT
C     THIS SUBROUTINE READS IN CHEMICAL KINETIC AND COLLISION CROSS C     SECTION DATA FOR MORE ADVANCED VERSIONS OF THE THERMOCHEMICAL
C     PROGRAM.
DIMlNSION PARAl201 REAL JUMP
554 FORMAT 171F3,0tlXtA61 12/ El2e0tF6,0tF.12eOI
DO 209 I  ltl000
MEAD 15,5541 (PARAIKI K  ll41LBJ,BUMP,JUMP,HUMP IF (LBJ NE, 11 GO TO 556
BUMP -BUMP
556 WRITE 1121 IPARAIIC.lt K  ltl41 t BUMP, HLIMP, JUMP
1F I PARAll 1 ,EQ 0.I	GO TO 210
209 CONTINUE
210 CONTINUE
DO 219 I  1,1000
READ 15,5551 VA, va, vc
WRITE 1121 VA, VB, VC
IF IVA ,EQ. 3el GO TO 2io
219 CONTINUE
220 CONTINUE

0610
0620
0630


60

NWC TP 6037

555 FORMAT IF4.0, A6, ElOeOI
RETURN END
-FOR,JS	BUFFER,BUFFER/A
SUBROUTINE BUFFER 11w, PHASE, s, REOUNo, JN,JE, PARA)
OJMENflON BJNll ,3 1 JEl7), JNl71 PARAl181 IF IJWeEQ, 11 GO TO 11
11+1
BJNll,11  PHASE GO TOl1121t511, IW
11 REWIND 12
I   0
GO TO 99
21 8JNIJ,21  REDUNO BJNl1t31  S
00 31 J  lt7 IC. 3 + 2*CJ-ll 8JNlltK+ll  JNIJI
31 BINIJ,IC.+21  JEIJI
00 41 J  ltl8
41 BJNCJ,J+l71  PARAIJI
IF IPHASE eLT. Oel GO TO 51 IF II eLT, 201 GO TO 99
J   0
51 WRITE 1121 IIBINCJ,IC.J, IC. 1,351, J  1,201
99 RETURN END
-XQT
3Ll2
llNA2
191(. 1
37RS2 S5CS2 87FR2
4BE2
12MG2
20CA2 USR2 HBA2 88RA2
,s1
13AL2
21SC2
39Y 1
57LA2
89AC2
95U52
96Ul2
97U22
98U32
99U42
22TJ2
23V 1
24CR2
2 5MN2
26FE2
27C02
28Nl2
29CU2 JOZN2 31GA2
32GE2
40ZR2
41Cl2
41MO2
43TC2

61

fltoNC TP 6037

44RU2
45RH2
46P02
47AG2
48C02
49IN2
50SN2
51CE2
59PR2
60ND2
61PM2
62SM2
63EUZ
64G02
65182
660Y2
67HOZ
61ER2
69TU2
70YBZ
71L.UZ
72HFZ
73TA2
74W l HRU 76052
771R2
78PT2
79AUZ IOHG?. 11TL.2
82PBZ
90TH2
91PA2
9ZU 1
93NP2
14512
6C 1
83812
51582
33AS2
UP  1
7N 1
lH 1
84PO2
52TE2
34SE2
16S 1
10  l
85AT2
531 1
358R2
l7CL.2
,ir	1
2HE2
10NE2
llARZ
36KR2
54lCE2
0
2 1
3 1
4 1
'6 11
7 1

62





NWC TP 6037


8  l
9 l
10?
112
122
132
142
1!12
162
172
182
192
202
2U
222
0
u
*l
+l
-1
ALUMINUM	ICI	26.982 AL 1




.,





2-A

.79604324Ele74234602E+l el2013784E+2-.41592804E+l
-.79464640!1-.24076189E+l el7672812E+2 .OOOOOOOO ALUMINU	ICI	26e982 U4 1
,79604320+0 l  7ite234596+01 , 12013784+024 U92802+01
-,79464629-0l-,24076188+01 el7672811+w2 eOOuOOOOO ALUMINUM, MONATOMIC	IGI	26e982 AL 1
.48557431+01 el7986383-00-.84569434-01 el2009095-0l
.19636010-01 .76611834+02 .45244449+02 .77999999+02
ALUMINU  MtNOCHLORIOE	IGI	62435  AL  lCL
.88697597+01 17984430-00-.16823909-01 ,143 7672-02

298 TO 0932	1765	2-e
298 TO 0932	1165	2-c
2-0
298 TO 0932	1'-65	2-E
298 TO 0932	1265	2-F
4-A
298 TO 6000	1'-''	4-8
298 TO 6000	1265	4-C
1	6-A
298 TO 6000	964	68

-.57386842-01-.14046012+02 .64827267+02-.11200000+02
ALUMINUM	IL I	26e982 AL 1

298 TO 6000	964	,6--oC

,75878742+01 .11669338-03-.29586136-04 .21870895-05 0914! TO 6000	1765	3-8

,93873461-05-.19028412-00 .17602579+02 ,20720000?01 09';14! TO 6000	1?6
ALUMINUM	ILi	26e982 U4 1

,3--oC

.75878742+01 ,11669338-03-.295861,6-04 .21870895-05
,93873461-05-,19028412-00 .17602579+02 .2012 000+01
ALUMJNUtit, MONATOMIC	IGI	26.982 U4 1
,4d55743l+Ol ,1798638300184569434-0l el200909501
.19636010-01 ,76611834+02 45244449+02 ,77999999+02

093' TO 6000	1265	3-E
093' TO 6000	1765	3-F
4-A
298 TO 6000	1265	48
298 TO 6000	U65	4C

ALUMINUflt CHLOROFLUORIOE	IGI	81,433 AL lCL lF 1	7-A




















63

NWC TP 6037










        Appendix H LISTING OF PEP PROGRAM
SUBPOUTihE  ADJUST
COHME T.	AOJ STS G AH AT0 8ALANCE FPPORS BY MODIFYING THE BASlS, CALLEO BY CIEFICJJ
CCOM ON  '121121,  l'Rl;;C'I,  AIOTUr,,121,  JATl121,  jSPE.CllZI,  I"J,  IS,
lFIECln,t-1, IE11r,1, ALPl\21, W27, l,		BLOKClC,::.), [J llCI, RHOllCJI, 21 SER I Cl r:' I , Iii AT t. ll " I , W 1 C 6 I , W 43,	I G , NP , V NT C 2u11 , W 4., , NAM F' , SER OCOMMON /IBRIUM/ TLl;?.,l",21, TUC2DC,21, W:!1201'11, VNUI .. 00,1.:1, QA, lTAU, HCZl..01, scc.:co1, vczr,01, JC, IRC?OC,21, OHUl2wl'.!1, VLNKCZ"'OI, 2IOJf121, PAIZ0.. ,2>, RPC201",21, PC120IJ,21, Ro12... n,21, Rt::120..,,21,
3RFC2un,21,  CHC.!Cu,il,  JM,  W4B, CP,  FN,  c112,201.11,  !:.PECIE12C.OI
0 IH ENS I ON E PC 1 I ,  X C 12 I
00 1	 I : 1,IS E PC I I :	ALP CI I 0 0 1	J :: 1 ,N
1 EPCII: EPCII  - Cll,.JlVNTCJI
00 2	K : 1,IS XCKI: O.
00  2	I  : 1, IS
XCKI: XCKI  ACivKlEPCII 00 3	K : 1,IS
J:	IOJIKI
l  VNT(JI  :  VNTCJI   XCI\I
77  FORMAT  11P  12,0.?l
IF C KR C 1 b I  E 0  Cd	C.0 TO 9 9 IIRITE 16,771 CALPI.JI, J:		 ltISI WRITE 161771 I EPC.Jl1 .J:		1,1S1 WRITE 161771 l IJI I J:	1,ISI
99 RETURN ENO



SUBROUTIN B00STl ij3,SSII
COMMENT.	COMPUTES CRAt FREE BOOST VELOCITIES FROM IMPULSE ANO LIFNSITY
C	IF  NOT OESITEO, DHETE THE CALL IN SUBROUTINE DtSlGN. DIMENSION w112c20,, w44C201
DATA .JM/l8 I
OATAIW421ll,  I  :  1,1cl/5,,10,,15.,2S,,3C,,5'5,,6CI. ,b9, ,71. ,a11.,
1	100,, 1 O.,175, 200 300,, 1000., 3000., 5000  /
2 2 7	FORM ATC It, CF Se Cl, lr,/ F 6 .o1161F.5  O, l H/F 6 ,0 I/ 61 F6  0, tH IF c;  ('11 I
23u	FORHATf/'13HlJBOOST VE'LOCITIES FOR PROPELLANT OENSITY OF F&,S,
110H	cs.ea. OF FS.3, 1HII
w 48 :: 1 7 .:s. w 4 .5
123	VO:	W43/e03&128
VI : SS I 32,174 00 127 J:	1,  JH
127  W44CJI: VI*ALOGC1,C+ W48/ W'12fJI)
1311 WRITE 16,2301 w431  VO
WRITE f6,22711Wlt2fJI, Wli4(JI, J:1,JH)
13 9 RETURN
tNO

66

NWC TP 6037

SUBROUTihE OEFIOJ
C		COMPUTES SERIAL NUMBER FOR AN OPTIMUM BAStS A LAHN BROWNE Jk ()COMMON AU2,121, l<Rl201, AMATl10,12), JATl121, ASPECl121, lNt	IS, lFIEll0,61, IEfl0,61, AI.Pll21, W27, N, 8LOl<C10,SI, l;HllO), RHOClO), 1ISER1Cl01, I01t:llf'I, Wll61, W113, IG,	NP, VNT<2ull, W1+7, NAHf, SER OCOMMOW /lBRIUM/ TLC2C0,21, TUC200,2), W31200I, VNUl:?iJ0,1,1, QA, lHU, HC?.CIJI, SuC2!'.'0), YC2001, JC, lRC20C,2),'0HUC2uO), IILNKC2'.JO), 210J112l, RAC20U,2),  kBC2D0,21, RCC2C0,2t,  ROC21..0't21,  REC200,2),
3RFIZ00,2",  CHIZ00,21,  JH, wiie, CP,	FN,  cc12,2ou,,  SPEC1E1200)
4, LL I 200 I
CALL SLITETC1,KOOt1FlCI
GO TOC7,11),Kuourx
7 OLL	SL I TC 11 I CALL IU NKIIR, W3 ,NI DO 1		I : 1,N
lLLII):c;
2 IF  :  O
006	I  :1,1s
3 IF : IF  1
IF CIFN)	9,9,8
8 WRITE 16,101
10 FORMAT Cl7HOCANT FINO l\ASIS CALL EXIT
90011	J:;1,IS
K :  IR C I f, 1 I
4  ACJ,II  :  CCJ,1<1
5 CALL LINC.EPIII
CALL SLtTET12,KOIH'FXI GO TO 166,31, KOOr-FX
66LLC1<):c:.
ti I OJ 111  :  K
CALL ADJUST
11 RETURN ENO









SUl\ROUTlNE   Dl:'.S1Gf4   CTE,PR,HE,SVSENT,J,II
IJCOHMO All2,121, IIRl2'11, AHATCl0,121, JATC12,1, ASPlCCl21, IN, IS, lFIEC.10,td, IEl10,0, ALPC121, WZ7, N, 8LOKCtQ,&I, IJHC101, RHOClO), 2ISERIC101, WAH.(101, WlC61, IH43, IG, NP, VNTC971, WIU, NAME:, SER COMMON I !:.CU TC/PLOT 15,100)
l'JCOMHON llBRIUM/ TLC2t:0,2), Tu1200,21, W3C20nl, VNUC2UOil2), QA, lTAU, HC21JOI, SUCHOI, YC21JO), JC,	IFIC200,21, OHUCZIJO), VLNKl2:10), 2IOJC12t, RAC20Ll,Zl1  RBC200,21, RCCZ00,21, RDC2U0,21, REC200,2t,
3RFC200,21, CHCii:00,2), JH, 11111&, CP,	FN,  CC12,200I,  S:>ECIEl2LJOI
DIHENSIOh  TEHPC201,PRFSC20),HEATC201,VOLUC201,1PHClOI
0 IHE N I Oh SPI 12), AST C?.), 11S TC 2 t, G AMC 2 I, CF C2 I, Ell I 21 t C.S T 121 , ISP C 21 t
10 Ell C 2 I , E 1. C 2 t , T HR T C 2 I , TEX C 2 t
1 f' OR H n	C IIE lb 6 , 1 q I
TEMP CI t : H PRES ct t : PP HEATClt  :  HE
VOLUU) : FNou8,C!fiTE/PR IPHCII: IPHASECJt
NPNT S :  1
I F C I  E O  1 )	110 T O 99
SPICJlt  :  9o3l9 SORTCCHEATCllHtATl2tl/W271

66






lC  TEXIJ+l 1 :  TEHPC21
AS:	VOL C21/SQRTIHEATC,lHEATC211
CONY:  lo/l000o/S0ATl6372oW271 NSTART : 2
IF  CJ .tQ. 01	60 TO 21 DO 2U	LlH: 1,8
00 19  K  :  NSrART,  NPNTS
IF	CNPNTS .EC. 21  GO TO 9
IF	llPH(l\-11  EC-  TPH(KII	GO TO 19
IF  IA8S ITEHPIKI-TEHPIK-1.11 ,LT, 2ol GO TO 19
9  TtHPIK+lJ:  TtHPIII)
PPESIK+ll: PRESCKI HEUIK+ll:  HEAT(l'I I PH I K +1 I : IP H t K I VOLUIK+lJ: VOLUlkl I PH I KI : IP HI K -11
Ill START ::. K+ 1
t-lPNTS:  PNTS + 1 T UP : T E HP I 11 - 1 I TLO : TE HP I K + 1 I PUP : PP t:SI K- l I PLO : PRi.'.SIK+ll
M UP : M E AT( Is - 1 I MLO:HEATlK+ll  DO 15	L : 1, Hi
HHP(KI  : ,SITUP+TLOI
TE :  TEHPIK I
IF IT -' ,LT, Tf.l-lPUI>	GO TO 1S1 TEMP CK I : TLO
PQESll<I : PLO MEAT CK I : HLO GO TO H
151 IF  ITE 1   ,Gl. TEXl?II  GO  TO  l'SZ
TEMP IK I :TU P PPES II< I :PUP HEATCKI  :MUP
VOLU(KI  : F -;- .:csTEHP(l<I/PRE!>ll<I GO TO 21
152 TE:'iElolP 1111
CALL TSBAL CH,	PPE!Hl<I,  HEATCll.11  ll'iSF:NT1PUP1PLOI IVA : IPkASEIJI
IF  IIVA  ,lllE.  Ii'HIKlll	GO TO 13
IF CIVA .EQ. IPHCKlll	GO TO 16 TUP : T ,: MP C K I
PUP : PR 1:.S C KI HUP: HEATIKI GO TO 15
13  TLO :  TEMP()()
PLO : PRlSCKI HLO : HEATCKI I PH CK I : IVA
 lS  CONTINUE'
lb  VOLUll<I   FN.,,,e2rSHEHPCl<I/PRESIKI GO TO 21'
19  CONTINUE
GO TO 21
2 0 CONTINUE
21  DO 31	L:	2,N NTS
 CALL  Ot-lE  OCHEAT111,TE.HPCL11,PRESIL-111HEATCLll,VCLUCLll,TEHPILI 1,PRESCLI, HEATILI, VLLUILI, PST(J+ll, A!.TAR,	GT, GC, 1',V, LLI
IF  CPRESILI  ,LT,  PSTtJ+lll	GO TO S3
31 CONTI"'IUE
53 If" CPSTIJ+ll .LT. PR!:SIL-tll	GO TO 32 PSTIJ+l 1 :  PPE::.ILll
ASTAR:  VOLUCL-11/SORTIHEATCll    HCATCL .. 111


67







N-NC TP 6037

32 OEXI.J+l I :  AS/ASTA!< G AH I J+ l I : GV
CONY: 1.llOOO./SCRTC!"368.WZH ASTCJ+ll : ASTARCON\/
CON\/1: 9,806/lOOt'.1'+1811.124.218
CFIJ+ll : CONVlSPlCJ+ll/W11510SHJ+11 EVIJ+ll : 32.174SPIIJ11
RISPIJ+ll: WIIJ/.! 5bl3 SPIIJ+ll
ELI.J+ll : IW43/.0'.',6l.51 1.781	SPIIJ+ll hSTIJ+ll : ASTCJ+lll5SD.le0022D462 THRTCJ+ll: TEHPILlCPRESILI/PSTCJ+lllGT IF CJ .ECJ. 01	GO TO 99
CONY :  CCJNVICOt-.Vl
P ASr :  P ST I J+ 1 I
9875 DO 49	K :  1,100
IF CKRCJI .NE. 0	.At,D.	I( aE0a 21 GOT09'37& PLOTll,KJ:K
AREA: ASURPLOTll,hl
00 33 H  :: L ,NPt-.TS
IF  CH  GEe NPNTSl	GO TO 344
IF	CAREA  aLTa  VOLUl"41/SQRTIHEATl11  -HEATCMlli	GO TO 31t
33 CALL  ONE  OIHEATltl ,TEfolP(H+ll ,PRF.SIH1l,HEATIH+.1,voLU(H+J 1,TE"4P(HI
1, PRE SI f.l I ,HEAT I '4 I , II OL U I HI , VA , VB, GT vG C ,G V , LL I
3 '+ L :  M
PUP :  PA 5T
P!.O :Pfdi1'/3a
00 '+ 3	I" :  1, 28
PLOT 12,K l :  aSCPUP+PLOI
IF  ((PUPPLOTC,,Kll'-"IPLO..PLOT(2,l<lll	35,44,44
35 VOL : VOLllCLlCPRfSCLliPLOTC2,KI lc t.lG\/1 GO TO IH,371, i..L
36	HE:	HEATILI  +  G.;.IIIOL*PLOT12,KI    PRESll.lVOLU(LII GO TO 38

37  HE-:-  HElTCLI  +  GCULOGIPLOT12,KI/PRESILII
38  IF  U11EA	VOL/SORT(H ATCll-HEII	39944,40
l 9 P i.O :	PLC TI 2, I( l GO TO 43
110 PUP: PLOT12,Ml
43  1,;0NTINUE
'+4 PAST: PLOTl21KI
PLOT13,Kl:  TEHP1LlIPRESILI/PLOTl2,KllGT PLOT I'+, KI : 9 .32911S0RTI CHEAT Cl I HE 1 /W271 PLOTCS,MI: PLOTl'+,Kl + PLOT12,KlAREACONV
'+ 9 CONTINUE
2. FOl?HAT ClP  5El8.7l
9876 WRJTE 16,12431
12'+3  FORMAT!/	72HuIHPULSF"	IS  EX
X 0-I	SP	OM	E 'f  T I


r  '















CF	OPT EX

12 '+ 5 F OR H AT I  F 7  1, F o '+ , F 7  J , F 7  2 , F 7 , 3 t F 7  1, F 7  2 , F 7  1 , F 8  5 , F 7  U I
12411 FOR HAT C /FT. 1, Fa.4 ,Ff .11,F 1.2, F 1. 3,	7X,F 1.2 ,F 1.1,ra.!i ,F7.0 I WRIT EC 6 ,1244 lSPl I 11 ,GAH Cl l, THRT 111 ,PST( 1l ,CFC ll,	OEX 11 l
1	, PIS P 11 I,	AST I ll , TEX I 11
CS"I' I 2 l  :  PL OT I :;; , 11
liRI TEC6, 12451 SPI c 2 l ,GAH 121, THRT I 21 ,PSTC 2) ,CFC2), CST C 21,0EX 121
'I, RISP12 l w AS TC 2 l, TEX I 2 l
2'4  FORHATl'IJ! GREO DENSITIES  ARE'lf9F8.ll)I
111RITEC6,i.41 IRHOlil ,I:1,IN) IFCK R C3 I .GT O I GO TO 98
C DELETABLE NON- ASCII OUTPUT OF DATE  ANCI  TOFOAY.
W lfIT E 16 , 23) II SER I C 1 I , I :2 , 6 l
23  FOIHUTl"l',SA61
CALL  800STIW'13,SPil21l
98 CONTI Uf
9" RETURN END


68

NWC TP 6037

SUBRQUTI r  OES OZ
C	NOZZLE HA PC.WARE  UESIGN qouTINE.
'JCOHHON AUZ,1211 l'RIC:".'l, UUTll0,121, JATC121, A!.PECl121, IN, IS, lF'IEll""l,61, IE,lJ,&1, ALPC121, W27, N, eLOl<l!O, l, Lil-llJJI, kHOll,11,
dSUlll'I,  wATt.lJ.),  Wlll,1,  wn,  tG,	JP,  IINT(2ull,  w111,  NAM",  SER
C OH lo' ON I CR AT CI PLO r I , l OD I
CALL SLITE'T13,1SC.I
IF' fISC  .l::<J   11	r.o TO 99
:?!. FORHATC',',SA61
0 C 4 9 I( : l, 1 GO
T VA : PLO T I 4 , I( I + IPL(' T I !.I I I( I -PLOT 14 , k J I  CPL O Tl 2, I( I  1  I/PLOT C 2 , k I lf'Ck .Eo. Zf:	.01-1.	I'. Eo.	6blWRlTEC6,2311ISERJ.lll.t=2,61
IF'  Cl\  .ri.. 1	.o.:i.	11 .Eu. 26  .oR.	k  .Eo. 661WRITF'.C6,200ul
,! . co  FORMATCc, F.>.P.1,	EXIT','   EXIT','    F'XIT',  OPTifolUII'
f. ,	0 P TI HUH ' 1	VA C LIU M ' , ' VA CU UH ' , ' S E A L V ' ,  SE A L V  /
S'	RATIO','	PRt.SS','	PRESS','	TEMP','  IHPUU,E,  IMPULSC'
t,  IHPUL.)11 	lMPULS' ,  IMPULS','  IM PULS'/
l'.luX,'ATM,	ST','	k','	SEC','	SI','	s c
.:;,	SL','	S .<.:,	SI'I VA=PLOT C,,1< llul, 3
ve PLOT 14,k 19.80621 vc=PLOT 15,1( 19,806..l
vo=TVU9 ,90621
4 '-	WR I Tt: C 6 , 777 71 PLOT C 1, 111 ,P LO)'C 2 ,K I I VA , PLOT C 3 , K I, PLO TC 4, I< I , V !11
1'.PLOTC5,Kl,VC,TVA,VO
7177	FORMATIF'b,01F7,31F7,1,F7,0,F8,1,FS,r,F7,11F7,01F7,11F7,"I
99 RETUIIN
ENO



SUBROUTI E EQUILCTE,PR,HE,(NTR,tXI
COHHENT,	THI:i -ROUTINE COMPUTES CHEMICAL EOUILIBRII.JH FOR A PRESSURE,
C	TEMPERATURE POINT,	OTHER OUTPYTS ARE NTHALPY ANO ENTROPY,	HEAT C		CCPI AND MOLES OF GAS ARE AIIAILABLE THRU COHMON,
C	THIS ROUTI E  IS CALLED BY PrP,  HBAL,  SBAL, AND TSBAL,
COHHENT	UNITS ARE TE IOEG K,I  PR IATH,I HE CCAL/SYS WT,I EtHII  CCAL/0 C	/SYS, WT,)	t'fSTEH WEIGHT IS W27 IN COHHOk,
COHHENT,   IX IS u FOR FROZEN EVALUATION OF THERHOOYNAHI, VARIABLES,
C		-IX IS 1 ,OR EOULIPRIUM EVALUATIONS !IX: 2 FOR KlNt:TIC IN SOHt VER COMMENT, IN Ai.DITION TO PRESSURE TEMPERATURE POINTS THIS ROUTINE HAY BE C	FREELY FiR  OLUHE TEM ERATURE POINTS ev USlNG THE FOLLO ING MODIFIE C	 CALL SEQUENCE, VNTCNPl:ALOGC,Oa,osTE/V)I KRl171:: 1		CALL EOU C	 CTE, PR, hE, ENTR1 IXI	KRCl"!'I : 0	PR::FNVNTChPI
C   V IS  THE SYSTEM VOLUHE IN LITEl"cS/SVS, WT,
OCOl'IHON Al12,121, IIRl:ZOI, OIATlllJ,1211 JATC121, ASPECC1211 IN, IS, 1FIEC10,61, IEClO,t>I, ALPC121, W27, N, BLOKC10,::il, OMClOI, RHOC10),
21SERIC1011 WATt.ClCI, W1161, 1143, IG, NP, VNTl2u11, W'+7, NAHE, SER CCOHHON llBRIUM/ TLCZCi0,21, TUC2D0121, 113120011 VNUl?.00,1211 OA, lTAU, Hl2UQI, soc,001, Yl2001, JC, 1R(20o,21, OMUl2U01, VLNKCiC'OI, 2IOJC121,  11AC20u,21,  R8120D,21,  RCP00,21,  RDIZu0,21,  REC20D,21,
3RFC2CI0,21, CHl200,,1, JM, lllf8, CP, , ,	CC12,20ul, SPECIEl2CC11 COHHON/HOON/TSTEST
OIHENSIOh XC121, XHCl I
t\ FORMAT C I 5, Fl !'l,0, F 1 2, 31
9 FORMAT llP	10El3o41
17H CALL GIBBSI TE I CALL FIXIIAS
\TB	IF  C Ill - 11	? 1, 1 Z, 12
12 DO 38 J:	1,!
XCJI :  O.
XHCJI :  C,
00  31	! :	1, N
IF CCIJ,U .EO. O.I	GO TO 31 XMCJI: AHAXllVNTIII, XMCJII XIJI: XIJI + CCJ,IltYN"i"CII

69

NWC TP 6037

31  CONTINUE
IF CABSCALPCJ) - XIJ))/XMIJI .LT 000011	GO TO 3 CALL SLITEIU
GO TO 39
38 CONTINUE
39 CALL DEF IOJ CALL REACT ITE) DO 211	1-:	1,N
211 W III:  so.a -VLNICIII
CALL RA N K II R, W 3, N )
11 00 22	JC.: 1,20 CALL TWITCH IPR ,01
CALL SLITETlll,KOQIJFXI
       GO TOI 1116, 17) ,KOC10FX 1116 IF IKRl13)-11	15,llf,15
111  WRITE  16,8)JC,TE,PR
WRITE 16,9HYNTCII,  l:	1,NI
1S D 0 2 3	I CC :  1, 3
2	CALL TWITCH(PP,11
C4LL SL!TtTlll,I\J1.1-:FXI GO TOI ? ,221 ,I\C'i.,''FX
23  CONTit..lUE
.! i CONT HIU E
CALL SL l TF.: 13 I
21  VNTINPI  : ALO(tCPR/fNI
17  C LL  THfk O  ITC,  Hf:, f'.NTRI
'J NT I illP I : E )(PI VNT I NP 11
HT	:  T[
RETUIW END

SUBROUT I NF' FIXIHS
CJCOHHON  A112,121, KR14.MI, O!AlllO,UI, JHl121, ASPf:Cl121, l J, JS,
1FIEC10961,  1E110,t.I,  ALPl121t  W27,  N, BLOKll0,51,  UHllOI,  RHOllOI,
21SER l 11n I 1 ;A TE I H It	W 11 6 I , Iii 113 1 I G , NP , V NT I 2I., U , W It 7,	NAHF.: , SER OCOHMO"l  llBR UM/ TLl.ci.10,21,  TUl200,21,  W3C201JI,  VNUC?0n,121, Qi, lTAU, Hl2COI, si:.c ru,, v12001,  JC, 1Rl20C,21, OHU(Z1.1DI,  VLNK(2001,
2IOJ'121, PA1200,21, R11200,21, Rc12co,21, RC,C21.1!'!,21, REl2rio,21,
:5RF12L'1'1,21, CHl20u,,.:I, JM, w11e, CP,	n ,	Cl12,20UI,  SPEC1El2:.ll'.'I 4, LL 1200 I
IF  llG	ol:.Clo NI	GO TC. 99
I GP :  I G 1
oo 9	J  : 1,ts
II:	IOJIJI
IF COMUClII .LT 	9E+121	GO TO 9 DO 8	I : 1 GP , ft
IC  :  99
H	IVt..lUl!,JI  ol.0o  Li.I	GO TO 8
l:0: 1!8
IF	ICi"IUIU  eGF.'o  o9E+l?I	GO TO A
DO 7	k  : 1,1S
IF IK oEl.o JI	GO TO 7 IQ : I<
IF'	IVNUll,KI  .,-,E.  Cid	GO TO e
7 CONTINUE
VA:	VNTIIll  IINT I lI I	: V NT C 11 V NT I l I : VA
I OJ I JI	: I LLIII: C LLIIII : 9
GO TC 9
& CONTINUE
9 CONTINUE'.
99 RETURN ENO

70


NWC TP 6037


SUBROUTtM: Gieb'31TEI
COHl'\tNTo	CO PUTES  INOIVIuUAL  ENTHALPIES,  ENTROPIES .AI\D GIEIBS  r-REE ENERGIES.
!JCOM140N  A112,121,  KHC-.n>,  AMATCl0,121,  JATC1211  ASPEC112)1  IN,  H,,
iF'IEl1016lo IE:Cl01f-l, ALPC12>, W27, N, BLOKllC,:.,I, OHClu>, RHOClOI, 2ISERil10>, WAH.Cl.f'l1 W1C611 WlfJ, IG,	NP, VNTC21.,1>, Wlf71 NAM'!:, SER OCOMMON /lRRIU"4/ TLIZU0,21, ru,200,21, W3CZOOI, vr..u11un,121, i;.1, lTAU, HC?COl, S.;C2fiu), vczno,, JC, IP1200,21, 0MU(2ul"l, VLNK(,101, 210JC12-1, RAC2C1u,21, liBC200,21, r1cc200,21, R012... n,21, RE(20(.;,21,
3RFC200,21,  CHC,00,211  JM, Wli6,  CP, FN,  Cl12,20vl1  SPEC1(12u!'11
1	FORHATl3nOT:F6.o,:uH	H,S-O,Hu-o,  J/LINE)
.:	f'ORMATl3UP3E:12oli ,I311H  I  I
3 FORM.AT C lOHOOELETION h,	FlOolll THETA:TE:110000
DO 18  I: l ,N
ru1:ruc I ,11-10. T U2: TU I I , 11 +1 Cl 
T EO : ABS I TU I l, 11-T L I I 1 2 11
0 :c 
IF(TEoGE.TLII,lloH O.TEoLEoTUII,111  GO  TO  30 IFCTEoGToTLII,dol-ND.TE,LE.TUII,211  liO  TO  31 IF	CTE: oLF.'o 29cloH-l Gil TO 30
0:100':1001.:00000.:i.
3 l K :2
't' 2: RA I I , I\ I RB CI, KI T hE TA +PC I I, Kl lH ETA uz  RD I I , Kl H HE T At 3
1	+RE:CI,Kl*THEUUC?I
Hz: I RF' CI ,KI +RA CI, KI TH ET A SRBI I, K I HME TA .. .: I 1  / J  I *RC I I, Kl
1   THETA3oZSRDII1KlTHETA  RECI,K11/TH  TAl1COOo S 02: CH CI ,KI +RA I I, I< I UL OG C THE TA I RB I I 11<I HH ETA+ S RC I I, II I
1		THF.TA2c1.1J.l   OCI,Kl   HETA3-.5RECI,KlTHETAc-21 IFCTEoGE.TU1.ANOoTEoLE.TU2oANOoTEO.LEolol GO Tv l2
't' CI l ::Y2
H CI I ::Hz SOC I 1:s D, GO TO 20
3 2 K :  1
't' 1:R A Cl t KI RB I 1, KI *THE TA +PC CI 1KI *THE TA .. 2 RD I I, KI THETA** 3
1	R CI,kl*THt.TAUCZI
H 1: I RF' I I ,:o +RA I I, k I THETA+ S *RB I I, KI* THE TA** Z+ I 1  / .5  I RC I I I K l
1  THE:TA3.2 Rr11,K1THETA4REII,Kll,/TH TAllv o. S D1: CH CI ,KI +RA I I, Kl AL OG CTHE TA I+ RB I I ,I< I *THE T.A +  'i* Re I I, kl
1		THET AZl lo/3 o I RD II ,K lTHETA** -. SRE II ,K >T Ht. TAnl-2 l GO TO 33
3 0 K :  1
't' l:R A II I II l  RB I 11 K I THE TA +RC C I ,K I THE TA *Z RO Ii,  Kl THETA**
1	+RECI 1KlTHtTA.. C ?.I
Hl= (RFC I ,KI RA I I.	lTHE'TA+.SP.e I I ,Kl  HHf.TA u;;+c 1. /3. lRC I I ,KI
1		THETA**3o2S*RDII,Kl*THETAlfRt:CI,K11/THt:TAl10rJOo      SO 1: CH I I ,KI +RA I r, I< I AL OG C'!"HE TA I+ QB I I , KI THE H +  !i RC I I, KI
1		THF:T  **2 + C l , .5  I RO CI , I< I* THETA 3 S RE I I, Kl T Ht.TAU C -21 IFCTEoGE.TUl.ANOoTEoLE.TU?.ANO.TECoLEolol   GO  TC,  34
't' I I I ::Y 1
H II I :Ht s0111:s01 GO TO 20
3 Ii Y 2: R A CI I II I  RB C 1 1 K I *T HE TA +PC'. C I , K I HH E TA .. Z  RO II , IC I THE T A 3 l	+RECI,Kl*THETA ..  121
H 2: C RF' C I ,KI	+RAC I, IC I  THE TA 5  PB I I 1K I THE:T AU Z + I 1  / 3  I RC Cf t I( I
1   THETA .2SRDII11<1T ETAlfREI I,Kl*l/TH TAllQOOo S 02 CH CI ,KI +RA II, K I* AL OG CTHE TA I+ RB I I ,K I 1 HF.TA+ S Re, CI, KI
1	THETA2Clc/3olt<DII,KJTHETA3oSREII,Kl*THt:TAUC21
33 r2=-CTuc1,11-1u.-TE1120.
F1:loF2
't' u1::FtYl+F2v2
H CI I :f'lM+ F2  H2
soc11:F1s01F,sn2


71

NWC TP 6037

2 0  IF  I YU I   G    u I	GO TO 18 8 8
o	1oon ooooouoc.
188 8 I F f II 1C 3 I  LT  0 o I	'- :  0 
IF	IT	oLTo 2911o1hl  1-ilX,:HCII  1298o16TEl*YCII
IF  CT  oLTo  298ol61  SDCil:SOIII  YCIIULOGl298olb/TEI
18	0 '4U C II	:  H I I I  -  Tt  S O C II	+ 0
I F I KR C l 11  11	'2 1 , 1 9 , 2 l
19 WRITE 16,llTE
WRITE:  C6,2HHfll,SOtil,DHUIIl,I,  I:t,NI
21 RETURN
E' O









s llfH'' ,jlJ T T i,f'  uU r:. s'  T t. '	I
C0M"l:.t.T.	THI:. ilCUT .. ,L cri r:'S Ur> WITH A CQIJl)f CCJMPus,.r1or-. uUt:SS UUT  IT C	Tr) 0ET ClLCIJATJC;,S	ff' TO A FASH'.P START.
,C0Mlli;N	112,121,	ilL:"1,	MATl,:'1,t21, JATCPI,  &:;,P"C'l121,  I"I, 1S,
lFil:'.ll:",(1,  H:1,.0.,!I,	LPl'21, i,;?.7,  , f:'LOKllL.,:il, ul1tt:JI, RHu(lCI,
:-n,f.Rl(l"I,  - TLl.'.1,  Wll61,  w"3,  IG,  "'"'  VNTt ..11,  W 7,  NH1E:,  SER
? , f'LOvq
,'.COM C."I  /H:PIUM/ Tl.t t.,,n, "Jl.?nC,.?1, W3'20"1, Vr,IJl .:,-,,121, "''
'TU, !-lt.._n1,  Sut.c1,  '1'1,"0I,  JC,  IRtzr:n,21,  0 ,1Jt2 "1,  VL Kl l'"'C;I,
,IOJIPI, "Ali!!"i.,-.1, f:f IZt.l",7.1, "C.l..:;i::,:n, nr:c,1.n,:n, Q1:,(2f'11.l,i:1,
'.lilF"l,1..,.. ,'.'I, CHI._:,.,,.;.), J"'I,  Wlf!),  CP,  f'N, Cf12, ..Ll_,),	P(ClE't2.;0)
Ii, LL I;. '"t:I I
FL0011:W1i/1L:0111Cc,+Kr.l",II
9 7 Jn 11'1	J  :	l,'-1
VA :	.,
unRc:1	I=l,b
8dVb:VASCRTl4 CC.lt,J)II
8 So ,I 3C J I :	1 '"', r.- VA
C 4L L <;L ITE' 11. I CALL r.I rq,  IHI
;-)0 111	I  :  1,M
1 -1 V t-;T 111	:  t:  IJ
Cloll IJE F' iOJ
77 l CALL "E' AC.TI TE I
i.10 1	I  :; l ,N
l 'ILIIIKIII : -VLNl\I1I CALL QA I\IIA,VLNK,hl 00 ';	I : l , t,i
J :  IR I I , 11
Ir	I LL I J I LE  0 I	Ii O TO
I F' I Ljt1 U I .i I  r,F'   q,: + l :' I	Ii O T O ! CALL  5ETWPCY,XMI . bX,Jl
P!JN :   :;.r.XMAA
'J MT CJ I :  XM HI  V 'TC JI
DOif	L :1,IS
K:  l"JtLI
l F' ! II  F"   CI	GO TO	4
VNTCKI : VNTCIO  'v IUIJ,LIUHI
'I C0NTlNUF.' C0NTl"IUf'
:, CALL SL I IE CO I
C./lll SLY-TE  Ill
DO 7	I  : 1 ,N
7 1o1 3 C I I :	VNT CI I
Z 1 AE"TllR'I
ND

72

N#C TP 6037

SuBRCUT 1 hf  H BAL I H ,r>.;, F:NTR, LL I
C0M"'U,T,	THI:i ROUTINE C0l'PUTt:S  PRESSUPE ENTHALPY POJl T,
C	INPUT F.:t,,THALPV  IS  WlC'll  J', C0MM0l'i,  IX  W0CIKS THF' SA"!t.  AS  l'OP  ElilJll  (WHICI- SHI
C	a VOLUME	NPUT !NSTtAL, CF' PRESSU  wO l<S THE SAMc. .A't AS f:OR EOUIL ALSC 
... cOMl',Olll All2,12>,	-1,"1,  AII.ATC1r,1z1, JaT!l'.>),  A Pi:.C'C12l,  Pl,	IS,
lFIEClri,61, IrllG,'.1, ALPltZlt li/17, t, ill.0KCl''1:,11	,Htlr,1, wf-1011011 21SEP.Ill0l, 1o1AT,:,1;. 1,	Wll611 w113, 16,	,ip, VNTl:?t,11, Wlt79 NAME, S':R
1C0MMUN /l9RIUI'/ TLl:ll"l1.?1, TUl20G,ZI, W?IZ(lfll, V"'Uli'IJ"'110:1, "' lTAU, HC?._ri1, Sul,.i), YC "Ol1 JC, IRC2Cr,ZI, OMUl.'.'ur-1, VLNK12ro1,
;:IOJll?.1,  1UC2"t.,,1,	P.IZtir,21, PCl2r:t.:,211 RD(ZulJ,21, Cl(2w:..,Zl1
3RF:1,IJ0,?1, cuc ,,u,.!1, .JM,  wits, CP,	F'Nt CC12,.:t'lul, !:.Pf.:CIE(?.C..01
C0"IMCJ"J/SC.RATC 1HNl2'.:(.,.zl
230 FORMAT c.tHrRr;,UL TS i:, DAl'N GOOD I F'TU	6(!1,.l',O
i"TL:7c,
CALL EQlJlL ITE,Pk,HF:,F."NTR,LLI
LIM	;:or
lJO 11	T =	l1LlM
CiLL SL!TETl ,i,.cuf"fXI
r,o  T0C!l\,.:UDl11\l"uJFX
IF: IH	 Wlllill ;l:il11'+,2,..Z FTL : H
FLP  :  V'll(NPI
HLP  :  HE
DO 7 l,	L :  1, ,1

7 IJ
.,,, ,
6-,J'




7 l
11 l

HNIL,11 .:. VNTCLI GOTOll.
F TU :  T 
FLIP :  V 'J l IN Pl
H LIP : Hf.
DO 71 L : 1,N HNIL1::'I:   1'.TILI
II :  l
CF: MA .11,"1LFI
CF =	HH 1, II 16  1, t  CF l
? T :  I W I 111 l ..  HE I / I CF CP I
uT: A"IN,ilOT, .S1FTl.i-T:;II or: A AX!IDT,  . 1IFTLTEII H : Tf + DT
HOLD :  H ,.
IF IFTliFTL ,L'I. 'ol  C,O TO 21 IF' IA SILTI ,LI, di  GO TO lit CALL EQlJlL (Tl'",Pt-1,H[,CNTR,J.LI

1. CF:	CHE - H0Lul/lCJ'>.;.J1T)
13 lo/PIH. lc,2:'b)
111FIITf. (11;,231,)
21 Vh: IHUP,,1,'+11/IHUrHLPI y:,: CW! :1O-HLl-'l/(HUf'HLPI CP : "',
l/0  2,	1..  :  11N
CP:	CP  VtlT(LlYILl
IF ILL  ,1,F, 11  ur TG lit
'Z.: V IJT I LI  -: VA H !CL t ; l  +  VB H IH L, 2 I
111 UlTP.: "'TR + CWlllil  H I/TE: RETURN
E.:t.'O









73

NWC TP 6037

FUNCTION  fPHASt.lL I
COMMENT	THIS ROUTl ,E CJETERHINES WHAT CONDENSED PHASt.S AE PREHll!To oco""ON Act2,UI, l<Rc;.01, A"ATCl0,121, JAT(121,  A PEC(121,  lN,  IS, lFIEll0,61,  u:uo, ,, ALP(UJ,  W27,  N,  BLOKO.IJ,SI,  OHClOI,  RHOHOI,
2ISERll1CI, WATE,(ltil, Wll6)1  W43,  IG,  NP,  VNTC201>, W47, NAkE, SER
3, FLOOP.
I PH A St	:  0
IF	(lG	olOo NJ	GO TO 99 INC :
1 GP :  I G l
DO 12	I::	lGP,N
11'"  IVNTCll  oLEo  FLOORI	GO TO 12
IPHASE :: ?PHASE   11-lC
12  I NC :  INC    INC
99 RETURN END





r.uar.:ouTit,E LINOEP  Cl)
C".IIM,..fNT.  Tt1IS  k(IUTINE. f.STAE-LISHtS LINF.:AP DEPENDENCE av THE GRAM SCHMIDT C	TlON At.1:1 Tt-,EN IN ERT::, TH!:.  MATRIX f!Y  THE ME'THOD OF CO JUC'ATE G1UD1E
:.JCOMMC1N AU2,121,	Rl,r'll, AHATll0,121, JHll?.1, A::.PLCIH.11 PJ, IS, lFIEll-,,E,1, IE1,:i,t1, ALPC121, W?.7, N, &LOl<ltt.,!:,11 IJH.11(,11 RHU(l I, 2I!iERil1CI, WAH.11"1, Wll61, W43, IG, NP1 VNTl2v11, 1,147, l'tAHE, ::.ER DIHENSIO SSC 1.:1, 01 l ,121
DCI,II  :  lo
I F' Cl	 I:, r  IS I		uO T O 88 7 IF tl	  B  11	GO TO 8
IM :  I  l
00  7	J  : 1 ,It,1
OIJtll  :: Oo
R :: o.o
DO 2	I<  : 1,15
If IA(K ,11  ,EO, U, I  GO TO 2 IF (ACll,JI ,EQ, U,I  GO TO 2 R::  R   AIK,Jl*All',II
,  CONT JNU E
IF' CR .Ei., 0,1 GC! TO 7 0::  R/SSIJI
VA :  0,
00	3	I< : 1 ,IS
AIK,11 :: AIK,II  liACK,Jl
u LllK tll	.Eo. o. I	GO TO 3
"A :  VA   A es IA CI(. u I
J CONTINUE
lF	(VA ,LT, ,1)	GO TO 6 DO 17	K:	1,J
17  OIK,I): DCl<tll    <l*DIK,Jl
7 CONTINUE
8  SSCII: ,,.
DO 4	J  : 1 ,IS
"  SSC I I :	SS ( 1I  t  A I J,  I I	2
5 CALL SLITE 121
IF  Cl  ,LT,  lSI	GO TO &
887 00 13 J:  l,Is
0013 K :  1, IS
VA :  Oo
0012	L:J,IS
12VA:VA    OCJ,LIUIK,LI/SSILI
13 ""',JI 
871  FORMAT ('IFU,61
& RETURN ENO

74






NWC TP 6037


       ',l1:1f!,it.;fJhE ONE O IHSTAG,TZ,PZ,Hl,WZ,TO,PO,HO,VO,PS,AS1GT,6C,GV1LL> COI04ENT	tONTINUITY t:QUntON F'OR  ), OlMf.NStONAL  FLO FOR AOHdATIC 119) C	or . H)1'iERP-IAL cio, MOOE LS.
C I.it ; (!;:  A 112 , 12 I I K II I 2 L' )
If" :".R( 111 o.NEo Ill	WRITE (6,1122)PZ 1Pt'I IF' fit.Rllll oNE. 01 WRITE 16.11281 HZ1HO
1128 FOR,,H I'	HX,H01,E14.41
      IF CKRC111 .NE. 01 WRITE 16,11210TZ,TO 1124 FORMAT! 1 fZ,TQ12E14al+I
     IF' IKIH111 aNEa 01 WRITE t6,11231VZ,VO 1122 FORMAT(' PX1P0'2t14,41
1123 FORHAT(   vz,vo2t1h4)
GT : ALOG<TO/TZIIALOGCPZ/PO) GV  :  ALOG(PO/P,d/1.LOG(VZ/VO)
     IF fKRClll aNE. Ill WRITE 16t1'2SIGV,GT 112S FORMAT I'	GV,GT'2El4alll
LL:
IFCABSCTZ-TO)  ,GTa  3.1	GO TO 19
LL:
GC :  CHOHZ 1/HOG!PO/PZ)
IF IKRC1lt  ,NE, 01 WRITE 16111271 GC,HSTAG
1127 FORMAT  I'	GC,HSTAG'2E111,III
PSTAR : PZEXPlGV/2,  IHSTAG IZ)/GC) STAR: kZ ? GCALOGIPSTAR/PZ)
      iF CKRC111 ,NE, 01 WRITE (6,1129l?STAP,HSTAR 1129 FORMAT I'	P TAR,hS TAR 214,l+ I
VSTAR: VZC Z/PSTAA>t1,/GVt
GO TO 20
19  GC :  CHO HZ t/ CPOVC  Pi!VZ t
PSTAG: PZct. +CHSTAG  HZ)/GC/PZ/VZlIGV/IGVl,)t STAR:  PSTAGl2,/IGV+1,ltIGV/CGV1,II
VSTAR: VZ CPZ/PSTAR>c1,/GV)
HSTAR: kl? GcCPSTAIUVSTAR - PZvz,
21.J AS :  VSTAR/SQRTCHSTAC,HSTAPI
PS : PS TAR
RETURN
END






SUBROUTihE  OUT  ll"P,H.,Ht,ENTR,NSI
COMMENT,	COMPOSITION	ND STAT'! VAPIABLE OUTPUT ROUTINE
t1COHHON AltZ,121,  kRCZ'll,  U4ATC1n1121, JATl1211  ASPlCl12>,  IN,  IS,
lFIEll0,61, IEC.L01611 ILPl121, W27, N, BLOK11C',&11 OHC1CJJ, RH011011 2ISERI(11JI, WATt.lHI, W1C61, WIil, IG, NP, VNTl2011, W117, NAHE, SER
31FLOOl1
OCOMHON  /1!\RIUH/ n,200,21, TUC200,21, 1,131200,. VNIJt200,12t, wA,
lTAU, Hl2C.OI, Sut2ra1, vc2001, JC, 1111200,21, OMUIWOI, VLNK(2C!Ot, 210Jll2t, 1u1200,,1,  Rl?(200,21t  Pcc200,21,  ROC2Lt0,21,  RE(200,21,
3RFl200,21, Cl-l(,OIJ,21, JH, W4EI, CP,	FN, cc12,2oc.,t,	PECIEC200) DIHENSIOh SPOTCIII, VOT141
102 FORMAT (/1	TIKI	rcr,	P(ATH)	PCPSIJ  ENTHALPY	t:NTl10P'r	CP/CV
X	GAS	PT/V'I
104 F OR 14 AT ,I  F6  0 , f 8  2 , f <;  21 F9  2 1 F9  2 , F 8  II I F 7 , 3 , F 8  3l
If II FOR HAT  I 411 "JI, F 9   , l X I Ab I l
115  FORl4AT(411X,1Pi;.9o2,1X,A61)
21 FORMAT  llH	I
GAMMA: CP/ICP  !o91i71rjlFN) TF:	l, TE - 115904
VH ;: HE/1000,'J PF:	PR111.700o9 WRITE ( 6 ,1021

76



-	---

NWC TP 6037

1 l WR IT E 16 tl 04 I Tr: t Tl' , PR, Pf' , V H t E NT P , GA IOU  f' N t V N Tl ti PI
wlHTE 16,211
CALL  ANKIIR,  VNi,  tI
J :  1
DO 9C4 II:	1,N I:	IRCil,11
If' IVNT I 11  .LE FLOOlil	GO TO 904
SPOT CJI : SPEClEI 11 V OT I JI	: VN TC I I
J  :  J  
If'  CJ ol To SI	GO TO 904
lf'	IVOTlll .GT. o(u9'i19Sl		WRITE t6,1141CVOTtt<l,SPOTO<l,t<:1,1tl If'IVOTCll oLEo ,00999SI	WR1TE16,4SIIVOTIKl,SPOTCKl,l'.:l,41
J :  l
90 4 COIH INU E
J  :  J -1
If'	CJ  .NE.  01 ..RITE  16,4SHVOTll<l,SPOTCKl,K=l,,JI
l7Ci RETURN ENO







COH11ENT.	THI::. PROGWAH COt.SISTS Of' ROUTINES PEP, THLT, OESNOZ, BOOST, TSBAL, C	TABLO,  hIO, SLTUP, REACT, ADJUST, RANK, OUT,STOlCH, EQUIL, PUTIN,
C		OEF'IOJ, <.NED, lPHHE, THEPHO, GIBBS, TWITCH,	HBAL, OE.SIGN, SEARCi,, C	Ll'IOEP, SiliLt GuESS, TAPEB ANO FIXSASI
C01411t:NT.	THE HAIN PROr;IUM CONTROLS THE INPUT ANO OUTPUT ANO ESTABLISHES THE.
C	PROPELLANT THERHODYl!A"1lC MOC/EL IN THE Wl't IT CALLS HbAL ANO S8ALo OCOMHON AU2,121, l<RC.:O'.* iHHll0,121, JATl121, ASPt:CC121, IN, IS, lf'IEll'.l,61,  IEl10tbl,  ALP1121,  W27,  N,  BLOK110,61,  ClHClO!t  RH0110!, 2ISERil101, IIHlllf'I, 1111&1, w43, IG,	P,	VNTC2u11, W47, NAME, SER
3, F"LOOI>
:JCOHMON  /lBRIUMI TLl2L0,21,  TUl21'10,21,  W312001,  VNUl200,121,  QA,
1TAU, Ht?.,OI, SDC,r'i.11, Yl2001, JC,  lRU00,21, Ofo\Ul201'.11, VLNKl200!,
210Jl121, RAl20u,21,  F1 12on,21,Rc12110,21, ROl2ul'),2), REU00,21,
3Rf'l2on,21,  CHl,Ou,21,  JH, W48, CP,  f'N,  Cl12,20ul,  SPECIEl200) ", LL I ZOO I
COHHON/HOON/T51EST,TE,IRUN
CALL SE TCLK
I RUN :  n
T CH = 3 0 L,0 
ii TE:  AHUltTCH, suu.'.'ll
TSTEST :  Oo
TE:	AHI 1CTE, OO .I CALL PUT IN ILll
C	l'HE NEXT SHTEHENT DELETES CALCULATION WHEN INPUT EWRORS AFIE fOUNOo If' CLE oEOo 11	STOP
PR : 111 ( 51
If' CIIIH191 oEOo 11	GO TO 15 CALL GUESS ITE PR I
16  If'	IICRC71  .EQ.  Cl	GO TO 14
TE:	Wllbl
VNT(NP)  :  ALOG1.ue2aswl!61/W1C511 CALL EOUlL CTE, PR,	HE, SE, 11
PR:	f'NVNTCNPI SYSENT : SE
GO TO 114
1 ..  CALL H BAL  CT, PR,  SYSENT,  11
12  T CH : TE
Hf. :  W1 ( ij)
CHN : f N	.,
76

NWC TP 6037

1111 CALL OUT CPP,Tt.,HE,SYSENT,11 IF C KR C 1 I  (0  l I	GO TO 8
IF	C  l C S I  GE, W1 C 6 I I	GO TO	12 5 WRITE C b,31
3 FORMAT Cl'	WHY IS	THE EXIT PRESSUPE ,GE, THE CHANBl:.R PRESSURE,'I GO TO 8
12:, CALL DESIGN  CH., PR, HE, SYSENT,  11,  11
PR:WlCbl
CALLS BAl  ITE, PR,  HE, SYSENT,  TCH, 01 CALL OE S lGN C TE,	PR,	HE, SVSENT, O, 21
22  TE :	ITCH?TEI
70 CALL c; BAL ITE, PP, HF.:, SVSENT, TCH, 11 CALL OUT CPR,H:,Hf,SYSENT,21
FLOOR=W 271,E 7
CALL OES lGN CT E, PR,	HE, SY SE NT, 1,	21 IF Ct<PC!I ,EO, 01	CALL D:SNOZ
GO TO 8
END



SUBPOUTH.E rUT IN  CLEI
COHHENT	INPUT Rouu ,c CALLED BY HAIN PROGRAM,
CALLS ROUTINES DATE I. TOFDAV CTIHE OF' OAYI WHICH MAY Bl:. OELETEO
C AL G NOTE DELETABLI:. ROUTINES SETCLK AND LKCLKS THAT MEASUPE CPU TTHE OCOHMO  AUZ,121, KRCZ!ll, JIIATCln,121, JATC1?1, A!.Pl:.Cct2J, .i.N, IS, lf'Ifll0,61, IECl0, 1, ALPC121, 1127, N, ALOKClO,!il, OHllOI, RHOClOI, 2ISEIHC101, wATECJ.C'l, W1C611 11113, IG,	NP, VNTC2C.1l, 11117, NAME, SER
3,f'LOORt I OG llOul ,w lNC:.C 101
COMMON/MOON/TSTEST,TE,IRUN
DIME NS I Oh JE.C 1u,b I, JIEC 10,61 ,SW ING C 101 OIHENSIOh ATIHUUl"II
 DATA OTWTCII, I:	1,1001/1,008, 11,r,03, 6,911, 'i,IJU, 1c.a2, l:',011 1,111,0'18,  16., 19,,  2Ci,183,  22,991,  211,32,  26,9&,  2d,09,  30,975,
2 32,066, 35,1157, !9,91111, n.i, 110.os, 1111,96, 111,9, so,95, 52,01,
11 si+,911,  :is.es, sa,911, 5e,11, 63,511,  65,38, 69,7?., 1 .6, 711,92,
s 78.96,  79.916, aJ.eu, 85,118,  87,63, 88,91,  91,22, 92,91, 9'i,9S,
6 99., 1,,1,1, 102,91, 106,11,  107,88,  112,111,  11i+,a2, 1111.1, 121,16,
7 127,61, 126,Cill,  131'  1!12,91,  137.36,  138,92,  lllUel ,  lll.J,91,
I! 11111,27, 11171t 1sr-,3 , 152.,  l'37,2b, 1S8,93t 1o2,S1, 1611,911, 167,2
97, l6ij,Ci11;, 173,CII, 1711,Ci19,  178,50, 180,95, 183,8b, 186,22, 190,2,
1 192,2, 195.09, 197,, 220,61, 2011039, 207,21, 21'.18,9?, 210   210,,
Z  222.,  2.:3e, 226.,  2 7,,  232,, 231,,  238,,  237,,  237.,12,0l,9,0:U,
31r..a2,211.52,26,98,   2!.3,	I
1  FORMAT  (1911, Alt H,	111, 5X,	151
,		FORMAT l Ab, 6113, Ac!I, F7,0, f'6o01 FOR,. AT C S A6 t 6 C I 3 : A I , f S , 0 t f' 6 , 0 I
f'OR ... AT(1i,SA6,oll ,A21, F .o, F6,0I
3 FORMAT 4!2F6eb1 H, All CALL LK CLKS IVB I
CALL SETCLk
WR I TE C 6 , 088 91 Vb
8889	FORMAT(  'CCCPU'F6,2,'SF'CS.l'I
LE :  0
IF  CIRUNl	19,11,19
11 WRITE C 6 , 12 00 I.
1200 f' ORM ATC 1 .1.19 713 VE ij Sl O t-. OF PEP  ' I
7771	WRITEC6,l1201
11;iu FORMAT (/'OPUTIN OPTS, NAME, NO,OF INGROS,CM),  NO.of' RUNSINl'I WRITE C&,11291

1129 FORMAT  1'1"123115678',10	CNAMEI	I'!
  iH AD C S , ! IC I< R C 11 , I : 1, 19 I I IS E RI C 11 t I SER 112 I , IN , I ICRUN
DO 12	I =  1, 1.Z
12  J6TC11  :  C
IF' CkP.191 ,NE, 01	Wt<ITE l&,11211

N  I


77






NWC TP 6037

1121 F'OR,.H  I r]NOW  WEAD  H,  INGREDIENT  St:RHL NUMB[RS ENDING UNDEF1 Yo'/1
X	V	V	V	V	V	V	V	V	Y'I
IF	1110(q)  . tf.  01  IIEAD  l!itll\21  IITAGCU,I=l,INI
IF'C ld91  .NC.  ul  RITEl&,'1121CITAGIIl,I:1,INI
111  FORMAT  I ! "l 5 I
II p: l
;; w I Nl'l 1, 1
>?fiOl11dt101V11
.JO lZ	I :  1,I,.
lll ,' FORMAT C aH,,A:,I
1111 F0PIOT1 1llA6.Al,l
IF 111"191 .tQo 01 llv TO 11111 l(:IHGIJI
IF 111n  .I.To  Kl	C-. TO 1117
REwlND 11 REA0111,l11C:IV>1 I( p: 1
1117 DC J.113 ,.:KP,K
IF'IJ .Nr., I< !Rf.ADC 11, i..1 IF'IJ ,Nr., Kl GCI Tr	1113
R r: t C1 I 1 1 , 22 2 I Cb L111 I I , L I , L: 1 t S I , I JI t: I I, L I , J E I I , L I , L: 1 , 6 I
,DHC II ,c::1,0( ll
1113	CONTINUE
KP:I( +1
GO TO 11:.5
11111  RE'AD  C  S,211RLvl<II,Jl,J:1,!il,1JtEII,J1,JECI,Jl,J:t,61
, OH C I I , R 110 C I I
lllb F0Rt'AT ll0A6,2X,H,ISI
1115 DO 13  J:1,S
IEC I , J I : .. E C I , J I
13  FIEII,Jl:JIEII,JI
IF 11101 li..l  ,EOo Uf GC TO 1201
11 PIT  EC 6 , 1?0 SI , l ,-.
!2['1:i F'0PMATl'1.T0  CHANGf  01-: f. RHO,  TYPE COUNTll-'12'1,  DH f.RHOo'/
C.'	V	V	V'I
DO 12 4 ,.:1 ,IN
I? FA O 11\, l .:,03 I I , v At V ll
1,i;O.> F'0R"4AT1b,Hlf':o0l
IF'II ,EO, CIGO TO 1z:.;1
UHCil:VA
l 1 Ii R HO I 1 I : V b
1211  CONTINUE
CALL Sf(l!CHILF.1
0 O 1 4	I :  1, I 1,
.i Alt II I  :  C,
()() 111	J:	1,t.,
I(=	J&T 1.,.1
14 wHECII	iilATF.III + t"'ATII,Jl*ATWTIIII CALL SEHCHILFI
19  CONTINUE
lb	,i IH TE C 6,  1122 I
1122 FORMAT C,r,REA0 IN CH, P,	Xo	P,  WTl, WTZ, + ET(..'/'  (TO READ NEW C X0NTROL CAPO HIT (.tR, R[Tol01
wRI TE. H ,11231

112.3FORMATI'	V	V	V	V
READ 15,JI Wll:il, ,111161, IWINGIII,
IF' I w11  - l  E0 ,  0  I	c.o TO 7 7 7 1
I F' I k0 I 2 l  NE ,  11	C O TO 2 0
IS  :  ts  t
2 0 I RUN : IhUN - l K l191 : \
IF lwINGCll  oEw,  ('ol	GO TO 120
KIH 191	:  t'
DO 21	J :	l, I:.
ALPIJI  :  Oo
DO 21	I:	1,H,

V	Y	V	V	V'I
:  1, 1 0 I , I HR IO l , IS ER I( II I


78

NWC TP 6037

2l	ALPCJI: ALPCJJ    AMATll,JlWINGIII/WHtlII
ii 27  :  0 
W 11 .. I :	i;.
w ..3:	c,.
VA :  1 
00  22	I:	1,1111
SWING II I:	WINblll
Wl141:  1111 .. 1    uHtilWit.lHII
W27 : W27 + WINGlll
IF  IRHO C 111	2::,,2 ,2'1
2. . W .. J : W .. J + WINGIIl/t.HOIII GO TO 2 2
2SVA:')0
ZZ CONTINUE
W 113 : V ,w.. 3	*W ,i:7
12 .J IF	I KR I If > NE 11	GO TO 23 IF IK0(171 oEO. 11		GO TO 23
w11s1=	11t1s111... 1006C1
lF  I l<R I 7 I  EQ   11	C. CJ TO ?3
W1161:  allbl/J.4o70CbQ CALL DATE.IISEPI(J: I CALL TOFCAYIISl:.P.11511
23  WRIT 16,tbl llSl llll, I:  2,61
lb  FORHATl'l',SA6,6X,'OH	COHPOSITlON'/!
00 2 7	I :: 1, It
00 135 L:1,6
       IFI JI!: I I ,L l , E w  C I c,o TO 1 l 6 13S	CONT lNUE
13b	L :L-1
IOH: DH I I I
Z 7 I.PI TE 16 , 1:1" I 18 LOK I I , J I , J: 1, 5 I , IO H , I J l E I I , J l , J E I l , J 1, J: 1 , L I
8.1	FORMAT(2x,  SAb,  I7,2X,6!I!,A2JI
11?.ITt   16,  57511S11INGllil,II:l,INl,W27
:iS7:, FOR,..ATC'i.INGREo.wT&,.TOTAL/ GRAJ,4 ATOMS/ CHAM8Etl/	.ouus.r PfSuLTS/
Pf.RFORHH,CE '//17F 10,SI I
     W RI T E I 6 130 11 I ALP I I I , A SP EC I I I , I : l I I	I lul	FORl'iAT  1/';(Fl0.6, :x,A2,1X) I
IF	I Ki> I 2 I,  NE,  11	C, 0 TO ?8
IS  :  IS	 1
,	IF  IL': ,t.r, 11  Gil  TC 29
IF'  IIRUN  ,EQ,  vi	GO TO ,:9
0 0 ! i..	I :  1, I I< UIII
3u	Rl::AD 1S,ll IIIRITE I t.,331
I RUN :  n
3. > FORMHI/' AT THI::. POlt-lT T E  PROGRAM  toILL  ATTl::MPl  Th(  Nl:.XT  RUt-..'1
2 S RCTUR
':: "iO


SUBROUTINE RANKClP,Y,NJ
COHHENT.	Rt,Nl<S ECTOR Y It,	DESCENDING ORDER, RANKINGS APPEAR IN IRCI,11, OIHF:NSION X12DCJ>, VU.1'101, IR1200,21
00  1	I  : 1 ,N
IRII121  :  IRII11>
1 XIII: AHAXlCYIIl,  ,,Cl
DO q	I  :  1 ,N
S :  -t  0
DO J	J  :  1 ,N
IF	CS	XIJII .:,3,J,
2IRII111 :J S:	XCJI
3 CONTI .. UE
J  :  IR CI , 11
ii XCJI :  l,0
RETURN ENO

79

t-mC TP 6037

SUBROIJTlt.E  RE:ACTITEI
CuHHENT, THIS  HOUlINt.. (;OMPuTE!:,  THE  STOlCHlOHEfRIC COt.FfICIENTS  ANO LOG EOUILHRJ
C	UH CONSTANTS FOR ALL REACllO	iN TE HS Of THE CURRENT BASIS, OCOHHO  lllZ,121, l<R( ,,1. UIAT(\1'1,t2J, JATC12lt  lSPE.Cl12),  IN, rs, lfIE(lr.,t-1, IE(ln,t>I,  ALP(121, 1127, N, 8L0Kltu,SI,  uH(lOI,  w,-.(IClOlt 21SERIUOI, WATi.CHI, W1161, ld13, IG, t.lP, YNTC2wUt .W1!7 Nlt-!E, SER OCC\HHON ilBRIUH/ Tlt2C.0,21, TU(;!00,21, W3(200J, VNU12tJn,1,i!I, QA, lTlU, Hl?i..01, SD(2C'Ot, vc2001, JC, IR(Z00,21, CIHUl2uClt VLNK(,P.0), ZIOJ(l21, 1U(20u,2l, h8120fl,21, Rct,00 21, ROtZU0,21, 1'?1200,21, 3RFt200,21, CH140U,21, JH, WIIS, CP,	FN,	Cl12,200t, SPECIE12001
CALL SLJTETtl,KOUffXI
GO  ToC2!,31),K00CfX
21 00 11 tt : 1,IS
DC '. . ..;	1 ,N
YNU ,l(l:  0,'.l
00 1	I  : 1,IS
l VNUtJ,K I :  VNUtJ,1(1  A(l,IOCII,JI
IF UBSONUtJ,KI)    eOCSU  10,10,11
l u II NU I J,11 ) :  a. 0
ll	CONTINUE
.31 VA:	1,/1,9871/l(
00  3	I  : 1 ,N
11 f\ :  n, 0
00  2	LS  :  1, IS
IF  tVNUtl,LSII  17,2,17
17 J :  lOJCLSl
ve	VB   IINUCI,LSlt.HU(JI
2 CUNT lNUE
II LNK tI I	YU ( OMU t I)   V 81
3 CONTit.lUE
If	I t(P tl II I 11	7, II, 7
II WRITE C6,SI
WRITE C6,6HVL!iKCil, ! :: 1,NI
WRITE C6,8IIIO.JU), l:	l.ISI
a FORMAT  t lOC SlC, HI I
S FORMAT  1,22HOlOGS OF EOUIL CONST,S)
ti FORMAT  t lH lPEU,11,  9F1Z,IU
7 RETU N
ENO



SUBROUTit.E  s  BAL  CT, PR,  HE,  SYSEon,  TCH,  LLI
()COMMON At12,1Zlt l<Rl2t11, AMATUCl,121, .JHC1211 ASPl:.Cl121, IN, IS, lFIECl0,61,  IEll0,6),  ALPC121,  W27,  N, 8LOKt10,SI,  OHUOI,  RHOtlOI, 2ISERIC101t WATEIJ.01, W1CU, w11,, IG,	NP,	VNTt2ull, W11'7, NAM , SER OCOHMON /lORIUMI Tlt2C0,2), TUCZ00,2), W31200), VkU1200,1 1, O , 1TAU, H(2i.,l'II, SOCZCOl,	JC,	lRCZ00,21, OHUl2001, VLNi,.CZCDl,
2IOJC12l, PAl20i.l,21, 1<8(200,21, RC(;>oo,21, PDC2u0,21, l.'El200 2,, lRFt200,,?I, CH( OO,.:l, JH, w11a, CP, FN, CU2,20u), SPECIEC2QO) COHMON/SCPATC IHNf20t.,2)
236 FORMAT C.i.1HORESULTS NO DAHN GOOD I
OIHENSlON FACC21 F TU : T CH fTL:75
LIM : 20
80 CALL EOUlLCTE,PR,HE,LNTR,LL)
89 CF : "lC tLLll
DO 15	J :  1,LIM
CALL SLITET13,k00 FXI
GO  TOtl15,21u),kOOOFX
211.1 Ir	CENTR  SVSCNTI	211,19,212
211 F TL :  TE
FLP : VN HNP)
SLP : EN TR
00 70 L: 1,N

80

NWC TP 6037

7C.HNCL,11 :VNllLI GO TO 11115
21 2 F TU : TE'
F UP : V N TC N P I SUP : EN TR
00	71	L :  1,N
71  HNCL,21  :  VNTILI
4115 CF:  AMAXllloO,CFI
CF:	AMJN1116ou,  CFI
VO:	CSYSENT  ENTRI/CP/CF
OT= TEvo
    IF IVOI	131,B3,133  131 OT: TECEXPCVQI - 1.01
133 OT: AMINllOT, .s.cFTU-TEII OT: AMAXllOT, .SCFTLTEII
13 7 TE :  TE  + O!
HENT :  E t.""R
IF	cnu-FTL  .LT.  2.1	r,o TO 21
IF	CAFISCSYSENT-ENTRI/SYSNT oLT, oOOUll	GO lO la CALL  EOUlL  CTE,PR,HE,ENHt,LLI
1!:i CF:	CCENTRHENTl/iCPdLOCilTE/ITEDTIIII
17 WRITE 16,2361
21 VA: ISUPSYSEl TI/ISUPSlPJ ve= ISYSENT-SLPI/ISlJP-SLP' CP: 0,
00 22	L:	1,N
CP:	CP  + VNTCLlYCLI
IF  ILL  ,NE. 11	uO TO 18
22  VNTILI:  VhHNCL,11  +  VE,HNCL,21
18 HE "' HE + TE*(SYSENT - ENTR)
FACILL+l I:	CF
R ETUR'-1
ENO





SUBROUTINE SEARCHCLEI
C ,  ,  ,  ,  TAPE SEARCH ROUTINE FOR THERMO DATA,
OCOMr40N A'12,121, l'RC2CI), AMATll0,1211 JHC1:!1, A!>PLCl121, IN,	IS, lf'IElln,61, IEll0,61, ALPl121, W271 N, BLOKC1C,:il,  uHllOI, RHOClOI,
2ISER1C101,  WAT1.11r1,  WU61,  W43,  IG,  NP,  VNTC2r..11, wn, NAME,  SER
OCOMMON /lBRJUMI TLIH10121, TUC200,21, W31200I, Vt-.Ul:.?00,121, QA, lTAU, H(2i.,OI, soczro1, v12orJ1, JC, IRl200,21, OMU(20f'.11, VLNK(200I,
:'10Jl121, RAIZ i..,21,  IIR12ao,21,  RCl200,2l,  ROC2u0,21,  R((20u,21, rnrc200,;n, CHUOU,21, JM, 11148, CP,	FN, c112,2oc.,1, SPECltl2001
INTEGER S
l FORMAT llH	A6,  161
4 FORMAT 1.14HO HARK, NO COMBUSTION SPECIES f'OR Ab1lllH REVISE PEPAUXI l F C KR I 2 I  NE  11	GO TO 10
IS =  IS   1
JATCISl:O
ALPIISI  : O.
lu  NP:	1
CALL TAPLB 11,u,u,01 DO 99 llM: 1,7771 DO 9	I :: 1,IS
9 C ( I  NP )  :: 0 ,
C1\LL  UP!cl' 12.t-.P, !'.HASE, SI IF  (kHASE. oLT,  01	GO TO 100
C 	, 	, SF:E ff	SPECIES BELONGS TO ELEMENl GROUP,
If'  Cl'::Ct,11  oEii,  lll	GO TO 99
15	DO 18	I  :  1,7
IF	IIECt,11116,19,16

81


NWC 1p 6037

lb	00 17	J:	1,!S
IF ClECI,21 oNt:. JATI,..))	GO TO 17 C IJ, hf:) I : IE I I , 1 l
GO TO 18
17  CONTINUE
GO TO 99
JS  CONTINUE
19  CONT lNUC
Z 3 NP :  NP  +1
If" 11'.HASE oNEo 1)	GO TO 98 IG : NP -1
9 II  I F  I N!)   LT  2 0 uI	G O .,	9 9
WRIH. U, ,51
S fOP. AT  l lliONO. OF COHBUSo  SPECIES EXCEEDS  PROGo  LlHIT OF 200
99	CONTINUE
10 0 N :  NP -1
Rf.Wit.I)  l.:
00 SC	I :: l.N w31II: SO.
DO Su J:	1,IS
SO IOUI: w3iI)  -  SOP' .AE!SCCCJ,I)II
DO 51	J ::  1, I::.
H CJ I :  (; 
,0051	I:	l,N
Sl HCJI : H(J)  ABSCCCJ,Ill 0053	J:1,IS
IF(HIJll	52,5.:, 3
52 WRITf. I t.,41 sP.CIJI LE : 1
5.3 CONTINUf.
      IF CKPC81 .NE. 0) 1oRITE. l61112411SPECIECI),,.:=1,Nl 112'+ FORMAT C'OCOMPLt:Tf SPF:CIES L!ST FOLLOWS"/C.1.JC,ll,-bll
RF.:TURN
fND




:'iiJBROUHNE SETUF'lX,XMIN,JtMAX, JI
COMMENT.	THIS ROUTINE DETERMINES THE HAXIHUH  ANc, THE MINIMUM CHANGE
C	LLOWAEILE lN RE'' TlC'h COOIHlINATE J BEFORE NEGATIVE CONCENTRATIONS ARISE. C		ALSO SE,:i UP THE FUGACITY i:oEFFICIENTS FOR REACoTlvN JIN	XIJ).
DIMENSIOt. X l301
OCOMMON Alli,121, KRl.:01, AHATll0,121, JATC12l, ASPECl12l, 1.N, IS, lFIEClf"l,61, IEll.O,bl, ALi>C12l, W27, N, BLOKUCl,St, OHllOI, RHOClOI, 2lSERll1"'h WAHUO>, W1C6), 11143, .G,	NP,	VN'tc2u1>. W47, NAME, SER OCOMMON rIBRIUH/ TlllL ,21, TUC200,2i, W3120,1, VNUl20D,12t, QA, lTAU, Hl2CIJ), SC.!2GOl, Yl200), JC, IRIZ00,21, OHUC200)0 VLNK1200>, 2IOJl121, R4120C,21,  R!:1200,21,  RCCZ00,21,  R012u'l',2),  RE120u,2),
3RFl200,2),  CHl,OU,21,  JM, Wll8, CP,  FN,  C112,200>,	PlCIE1200l
XHAX : .1noooooo E\ti IHIN =lOOOOO OOElt 00 9  I : l ,IS
XII) :  O.
IF CVNUCJ,l)  ,E.Q. Col  GO TO 9
I(  :  (.IJ' u
VO :  VN T CK)
IF  I IG   LT  t	GO TO 6
4  Xl!I  :  VhUIJ,I)
C IFIVIC.llJ.IH	J, ,7
7 ltflJ::: &lN1fllN&I,  VCIWIIUl..1,111
Ci(I TO 9
l  "llli= tllCl"llll,  lfOrYIIIIJ&..l,Itl
i ,  O!Iflll'U r


rw-JC TP 6037

SUBIHiUTit.E Sl!TE(.JI DIMENSION LIT('41
IF'  (J	Cl GO TO 9
LIT(Jl:1
Gil TO 99
9	OOH.I:1111
10	LIT<U:::n
GO TO 99
ENTRY SL .tTETI J,10
K:z
IF  ILITt.;)  .EQ. 01  00 TO 99
K:1
LlT(J):O
99		RETURN ENO





SU8ROUTihF  STOICHCLEI
COMMENT PQOPELLANT STOlCHlOHETRY ROUTINE CALLED BY PUTIN.
C011HENT 	HIASES 	ij ! : UN8URNEC BERYLL IUH, U2 :. UNBURNED BORON,
C	IJ3 :  UMURNEll HllGNESIUH,  Uli :  UNSUFINED ALUHINUH,
C	US	UNBU11NEO CARBON,	DON,T USE U6.	THESE INEIHS HELT  ANO
C	EYAP(.,HT[ ijUT DO NOT REACT	GAS SPECIES HAY BE. tLlMlNATEO !'ROH Pt,;-. 11v
C	TAP[ TO PREVENT EVAP OIUT IONo
OCOHHON Alt2,121, klHZOlo AHATl101121, JAH121, ASPECll,?11 IN, ISr 1!'1['10,61, IECl0,61, ALP'121, W27, N, BLOKtlu,S1, uH110>, RM0(101, z:;SER11101t WATt.Cl('), W116l, will, IG, NP, YNT(2CH), 11117, NAHF:, HR 3,F'LOOR,IUGUOOl,IIIINGI 101
Oifo4ENSIOh SYHB 11001 DIMENSION FE C.l.D,61
EOUlYALENCE (FEU,11, IE'1,1>l

0AU ISY HB I 11 t  l  :  1,100 "I
1LI	8 E	B	C	N	0
2S1	P	S	CL	AP	K
3HN FE CO		 NI CU		lN IIKR	RB	SR	 Y	 ZR	 NB SAG CD		 IN	SN	SB	 TE 6CE    PR	 NO	 PH	 SM	 EU
7TH	 YB	 LU	 HF	 U	w BHG	7L	PB	BI	PO		AT 9F'A	U	 -.P	 :J.	 US		 U1
1 FORMAT ,a :owtHT,S A6t


F	NE
CA	SC
GA	GE
MO	TC
I	XE
GD	TB
RE	OS
RN	FR
U2	U.5

ti"OHH
N l	!iG
TT.	V
i\S	SE
RU	RH
CS	BA
DY	HO
IR	PT
fU	AC
UII	FM

Hf. AL CP OP
PD
LA EP AU TH

2 FORMAT ti	 PIGREDIENT CARO '121'  GCIOFEO UPo11 DO 11	I	i,lUO
11 l TAG CI I  -: 0
DO 19	I  :  11 IN
DO 18	J :  1,6
IF	tFIE111JII	111119,12
12 DD 17	L :  1,1u0
II' IFECI,JI  -  YHftLII  17,13,17
1' I TAG tLI  : l IE t 1 ,J l : L GO TO 18
1 7 CO.. TINUE
WAI' E C  C,11)  Ii:Cl,JI
 16 WAI, E C  ti,21 l
LE :  1
8 CONTINUE
.9	CONTINUE
IS  :  l
00 ZS t : 1,luO
1'  CITA6 lYI I  .?'S0,5,,0

S3


NWC TP 6037

20  A t'ECUSI: SYHBll>
J AT l IS)	:  I
IS	:  IS	 1
25	CONTINUE
IS  :  IS	-  l
0031	I:1,IN
0026 J : 1.12
2& AHAT(I,JI: 0, DC :r;	K :	l, I.,
lJO ,8	J:	1,(,
IF	llf.C!,JI    .>ATO<.11	28,27,28
27 AMATII,KI: Fit.l'l.Jl
GO TO zc:
2d	C0NTINU""
2 9 CONTINUE
31 C0NTlNUf R ET U R I ENt!











SURRuUTINE TABL0III,.>J,KKI
C0M"4ENT,	WHEi, THE bASH  l'i NO LONGER OPTIMUM, THIS J:!0UTINE CHANGES 1T BY C	THE TAbLEA1., "4ETH0O C\F LINEAR PROGRAMMING,
CCOMMON Al12,121, l'w(.!fll, AIUTtl0,121, JATC12l, sPE:CC121, lN, lS, 1FIEl1':ld,1, IEll0,f-1, ALPl121, 11127, N,  BL0KCt0,:il, 0HCl0I, RH0Cl0),
;:1sERIC1.,,.  wATi;,ClCI,  WlCbl,  Wli3,  r... ,  NP,	VNTl2CJ\I,  w111,  NAHE,  ER
icoHMON  /l RIUH/  Tl(2i,n,2,, Tu1200,21, W312001,  VhUl2'00,1Z),  QA,
lTAU, Hl?C0I, SuC,,..>I, Vl21J0I, JC,  IRl200,2),  0HUC,i!O'H,  VLNKC2:'0I,
2I0J(l:?1, QA(2(H,,2,, kB12on,21, RCl200,21, RD(2LJ0,21, Rt:l,00,21,
3RFC2on,21,  CHl.:0u,,1,  JM, Wl48,  CP,	FN, cuz,znu,, SPECIEC2tJ0I
l!,LLC2001 C0MH0N/H00N/TSTEST ,Tl
10 00 19	L: 1,N
1 F  I LL I L l , LT   0 l	GO TO,	9
I F CL , E ,,.	JJ I	G (, T IJ 19
IF  I A"\S I NU IL ,KKl I  ,LT  aOOOl I	GO TO 19
V	:  -V N U IL , K K I / V '-U I ..iJ , K 10
uO 15 M: 1,I,.
i::i  VNU,L,loll:  VNUCL,1'1  + 'IIAVNUCJJ,HI
V NU I l, I< I< I :	\/A
00  11.1	lo4 :	1, IS
IF	CABSCVNUCL,MII ,GT, ,00001)	GO TO 16 V NU C L, H l - G 
lt.	C0NTllllUf"
19  CONTINUE
00 2C "I:	1,I
2 ;,; V NU C JJ , M I : 0  V NU C JJ t I( K I : 1 , I OJ C I\K l : JJ LLCJJI : r,
LLCill  :  9
CALL l?EACTITt::I
IF'  CKllCl:>I  aN, 11	&OTO 99
       Iii RI Tl  C 6 , c,9 9 I I ! , J J , lOI, PE C IE C II I , SP C IE C ,,IJ I 999 FOR"'AT CJI5, lx, tt.,  RfPLACE0 l\Y ,	A61
9 9 Rf.TU!llll
[NO


NWC TP 6037

SUBP.OUTH,f: TAPrn lh,	L,  PH.lSE,  SI
COl',MENT.	THIS ROUT.1.NE t:IUfF'ERS THE INPUT FROM THE URRAkV TAPE,	THlS SPEEDS C	INPUT ON Tl,E UNIVAC 0UT l'IAY SLOW IT ON A GOOD MACHI"IE.
? COMM ON A 112 , 1? I ,	R I ,. r, I ,  A MA T I 1 rt , 12 I ,  J A Tl 1 ? I ,  AS Pi:. C I 1 .; I ,  l N I  I S ,
1FIEIH',6l,  lEI.D,H, ALPl1211  W27,  N, BLOKl!._, 1,  uHllOI, RHOl1Cil,
2I5ERllli:'l,  loATt.lLI,  Wll61,  W43, IG,	NP,	VNTIZ01l1 W471 NAHi:, SER
:co ;MON /lBRIUM/ TLIZu0,21, TUl2t'D,21, W312C!'I, VNUl200,121, IH, lTAU, HIZ n,, Suli .JI, v12ro1, JC, IR1200,2), OKU12un1, VLNK12 01, 2IOJl12>, RA12Po.,21, 1<'31200,21, PCIZ00,21,  ROIZOt'J,2), RE(Znu,d,
3RFl2C0,21,  CHl,00,21,  JM, W48, CP,	FN,  Cll2,ZOLJI,  ..,PLCIEl2C!i)
OIMENSIO BlNl,i.0,!51
GO TO  I ll,211,  lloi
11	REWI NO 1,
I  :  20
    GO TO 99 211=11
IF11.Lr.  211	o H !l
I :  l
REAC 1121 IIBH.C.J,1\)11<: 1,351,J:l,?.CII
31 PHASE: E,INll,ll
S PE C IE I L I :  B I 1, I l , i. I
S:	&INll131  00 41	J : 1,7 K :	 3 + ..: I J-1 l
IE I J, 1 I  : BIN I l I\+ ll
4 1 I E I J , ? I : B IN I 1 , K + i!. I RAIL  11  : BIN I l, H I R 8 IL , 11 : B IN C .I. , 1 Q I RctL,11 : BINIJ.12,I RD CL , 11	: BIN I I,, 11 REC L , \ I : B IN I .t, Z I RFCL,tl : BINII,,?1 CHIL,11 : BINl!,24) TL IL , 11 : B l"l I I	I TUC L , 11	 : BIN I I, 2- I RAIL,21 : BINII,,71 F:BIL ,21	 - BI"l I .i.,.I I RCIL,21 : BINII,2C) RD IL , 2 I : 8 IN I I, 3 "1 l RE!L,11 : BINll,JJI RFIL 21 : BINII,3::1 CHIL,21 : BINl.1.tJ:!l
Tl,(L,21 = BINII,.341
TUCL,21 :: BHH113SI
99 RETURN
E?W




SUBROUTihE  THERMO(TE,HF.,ENTRI
COHHENT,	C(IHPUTES SYSTEM ENTHALPY, ENTROPY AND HEAT CIWACilY
0C OH HON A C12 , 12 I t  KR I C I ,  l HA T I 1 0 , 12 I , J HI 1?. I ,  A Pl(': I 1 2 I I  I 1-J ,	IS ,
lFIE:110,61, lEClO,bl, ALPl121, 1j?.7, N, BLOKIJU,:.,1, l1l-1CtOJ1 RHOl101, 'ZISERillOI, WATt.lHI, Wll6t, W43, IG, NP, VNT12Ll11, Wll1, NAHE, SER OC()HHON /lBRIUM/ ruzc.r,,21, TUCZ00,21, W31201)1, VNu12or,,121, QA, lTAU, HC2 01, so12co1, Yl2001, JC,	IRl?OC,21, HUl2u I, VLNMIZCOI, 2IOJl12J, u12ou,21, Rl'CZ00,21, RCIZC0,21, R0(2(.0,21, PEZ00,21,
3Rf'C2Ci0,21, CHC20Ll,21, JM, WIii, CP, f'N, C(l.',201.11,	P[CIE(?ODI
VH:  De!'
vs : 1).0
<:P : Oe 0
CC 11	I  :  l,N
CP  :- CP   VNT I ltY I 11
VM :  VN   VNT f uuc 11

NWC TP 6037

11  VS:  VS   VNTCI>SDCI>
FN :  n. 0
V SM :  0  C
00 12 I: 1,IG
IFCVNTCII  olE  OelGO TO  12
F =FNVNTCH
VSH:  VSH+  YNTtH*ALOGC NTCI >
12	CONTINUE
VSM  =1.c;e11CVSH  + rNVNTCNPII
HE :  VH
ENTR : VS - VSH RETURN
ENO




SUSROUTlhE TSALTITE,PP,HE,ENTR,PUPl,PLOII
COMMENT. -	T1-1IS  SUcPOUTlt-;E  COIIPUTf.S  COMPOSITION,  F'!lESSvPE  ANO  ENTHALPY
C	GIVEN TEMPERATURE ANO ENTROPY. IT IS CALLEO BY TSBAL. COMMON A (12,12),KR(20)
COMMON/MOON/TSTEST TSTEST -: -z17.;.9.3 PLO : PL v I
PUP  :  P Ul-'I
PR: I PUP + 1-- LO l / 2 
DO 22 J.:	1,2
CALL  EOUILITE,fR,HE,SE,11
IF 11'.PCDI .NE. 01 I.RITE16,9lJI,TE,SE,PUP,PLO
', F OIHU T  I  T SB L  l'  , f o .l,	JF 12  31
Jf' I SE  C.T  EN1Rl PLO:PR IF CSE .LT. ENTRI PUP:PR PR:CPUP+PLOI/Zo
16b IF  CIPUr'-Pl,.Ol/PLO .LT. ,OCl008l   GO  TO 2.3
ZZ CONTINUE:
WRITE C  , 11
lFORMH tTSALTSTOP'l CALL SLITE 131
23 BTE T  :  ':',
RETURN
1-,jO


SUBROUTil'IE TSflALITt.,PP,Ht,ENT ,PUPI ,PLOil
COMMENT.	Tl,JS SUBROUTJM'.' COIIPUTES COMPOSITION,  PtH"SSvlH.:  ANO E JTqAL:>Y C	GIVEN TEMPERATU,'(E IND F.:NTROPY.	IT IS CALLED BY TStiAL..
OCOHHON  At12,121,  H:l ril,  AMATIHl,1.Zl,  J.lTC121,  ASPLC112l,  IN,  IS, lf IE f lC', 6 1, IE I	1 , 6 LP I 121 , W 2 7,		 N, BLOK I l ':",!)I, UH I! 0 l t R HCll l D l t 2JSERI!1C'!1 I-IATUlc-11 llllf I, W431 IG1 P,		VNTC21.,\I, WH, to.AME, SER CCOMMO  /lBRIUM/  TLC,UCl,ZI,  TUl200,21,  W3120til,  VNUl20D,121,  QA, lTAU, HIZi..01, S0f2''01t YIZl'.1011 JC,	IRl2'.lf1,21, IJMUIZu!ll, VUJ11,12rc1, 2I0JC1ZJ, RAl20L.,,ZI, P.l:!1200,21, PCl2rU,2)t R0C21..1J,2>, PE(Zt"U,2), JRFC2Ci0,21, CHl,00,,n, JH, 111'+8, CP,		H,,	Cl1Z,20L.lt	Pt:CIEC2or,,
OlHEhSIOh  )( 1121,  XMI 121
6 FOR HAT C l '5, Fl O  0,	F 1 Z, 31
9FORMAT C!P lOE!Jolll
t.RCUll=l
PR:.SCPYPl +PLOll
:734l CALL Gll'&SCTEI
CAl.L F'lll!IS
12 00 ll J:	1.t
 JI	:  -, 

00! 1= I

-:: 1.,

1r	,c1..1...,	.t:. 1,,.1	t;= 1e> !"l

NWC TP 6037

XMIJI: AHAXllVNTCll, XHCJII XCJI: XtJI + C.IJ,Il+VNTITI
31  C0NTlNUF.:
IF  IABSIALPIJI    XIJltl,(HIJI  oLTo  0000011	GO TO lo
CALL SLITElll GO TO 3Q
38  CONTINUE
3 9 CALL DEF I0J
CALL 11EACT ITEl
00 211	l :  1 , I
211		w3(Il	n.c -vLNKIII CALL RANKIIR,Wj,NI
11 00 22	JC:	1,.:0 PR:AHAXllPLOI,PRI PR:AHINlCPUPI,PRl
CALL TWITCHIPR,Cl
cLL THfi<H0 lh,H(,STRYI
vx:1.
IF  C JC	 <. T  5 I V X : 2 
If" I JC  <, T   1 r. I V X: 4 
PR:PREXPCIENTRSTRYl/lFNVXl/1,98711   CALL SL ITET 14 ,k.0C.rFX I
GO  T0(146,171,Kur.oFX
l4b  IF IICRO.3111	15,14,15
14 WRITE C&,8lJC,T,FR
i.RITE  16,911VNT111,  I:	1,NI
15  00 23	ICC:  1,3
25 CALL TWITCH(PR,11
CALL  THERMO  CH,HE,STPYI
PR:PREXPfIENTRSTRYl/lFNVXl/1,98711
CALI. SL I TET (4 ,,.C-i.CFX I
GO  T0C2:,22l ,11\'.'.;;"F,:
;: 3 C0NTINUf
2.:  CONTINUE
KR( H,I:'.'
lo OLLTSHTITE,f-R,E,E.NTR,PUPI,PL0il
17 VNTINPI: EXP(vl,TINPll RETURN
('-10





FUNCTION Tw IO	IX l
COMMENT,	C0HPUTCS  Hit;;  Er.UILIBPIUM  FUNCTI0'-1,
GC0HM0N A'12,121, IIRl 0I, JMATllCl,121, JATll?I, lSPLCl121, IN, IS, lFIElll",61,  IEI.C,(-1,  Alr:>(121, 1127,  N, BL0Kl u,:il,  uHttul,  RH0l10I, 2ISERil1'JI, WATc.ll"l, Wl(61, i.43, IG, NP, vtn12c.i11, W47, NAME, SER
0C0Mf?0N /lBRIUH/ TLl2C.IJ,21, Tuczoa,21, W31Z00I, VNU(2v0,121, (lA, lTAU, H121.0I, sc.,czro,, v12no1, JC, IRIZ00,21, OMIJC2u1H, VLNKl2r.ol,
2I0Jl121,  RAl20u,21,  rerzon,21,  RC(2C1D,21,  RDl2..,J,2),  REl2C10,21,
3Rf'l2C0,2l,  CHl20u,,1,  JH, W48, CP,	c112.2ou1,  SPEClEIZ00)
0lHENSI0I\ Xl3CI
'J A : !Jo 0
TWI0 :  0,1'1
DO 1	I  :: 1,IS
IF  ()(III  ,E0o	I	GC TO 1
11	VA:: VA   XIII
K :	l0J  I 1 I
IF C l/N T I K I oL E  0  l  GO TO 1
11 J. h I O : T W 10  X C 11 0	LO C C v,n 00 )
1 CON'! lNUF'.
TWID: T l0  VAVNTl PI
RETURN
EhO

87

NWC TP 6037

SURRl;,Ult	TWilChlPP1JI.I
CVl',MENT.	THl lS Th[ "OUT!f.' WHICH CONllf.Pc:ES ON CHt,,MlCAL COMPOSITION.
cLLED  av  E.ClUlL.
,:COM,.CN  Al1i,lt'11  i..,.1._"q,  AHATl111,121,  JATIPI,  l Pt.Ct12l,  1 ,  IS,
lFitll",E,1, ltl.t1,rl, HP1121, 1;271 N, BLOK11L1:,l1 L1H(1Cl1 RMOllOI,
:'lSEPill"I,  ,IAT..IHI,  \oll161,  111131  H,,	IP, VNTl.i:1.111, 11'+7, NAHF'1 SER
.FL00
,COM!o11;N  / BRIIJM/  TL12 n,21,  TUliil'C,211  W312C'C'l,  Vt,Ul2U'1,12)1
lTAU, Hl  ...M,	Sl..l.i"ul,  Y(:'1101,  JC,	lP(?:".1,21,  OI-IUl2YCI),  Vl.NI\U'"CI,
210Jll"I, PA(2'11,,,,I,  ,;Q(.-:.;1'1,21, RCIZr.c,:n, Rl'(2..;l'l,21, PE(.:no,;:1,
3i<F'l::'L.C'l,7l, CHL'.Gu,.'I, J ,	Wll81 CP, FN, c112,20i;1, SPC:CH'l'?uOI ", LL I "0 I
011-n-:r.sior.. xnr.1
IC  :  r
V 00	:  JC	-l
VCJO : ,c;	-  VQ0/2u,
VQO: A"l Xll,C'.1,  V\,OI
vc:	,,n
I F	11< R I l 71    I	II '. t ,11 J2 1 4 C l
lfO l 00  :u'l	J. :  l dG
,01.1 VC:	VC  VNTlll
VNTINPI  : ALOGIPR/VCI
IIDZ DO 99	J:	1,N
IF'  ILLIJI  ,LE,  JI	r.u TO Q9
IF' IJO ,l,E 0	,Ht,.	LLIJI NE. Q)	GO TO 99 K lCK : 0
Vi;, :: VO Q
7 CALL  C:. E T t.P  IX ,  X H 11., '01A X,  J I
:.r	IVIIT (,J)  ,GT.  o.i	fj(.) TO 2Z
tile	- ',OOhVl,Tl.i) + F'LOl'R &O TO 97
,	CONT lNUf
'O:	VL KIJl  -  hTu	Ptl
VB :  ".Cl
LLIJl: l
If  IJ,Lf,IGI	1.0 TO 'I
COMMENT	MAJO  SPEC II; S  TOLEPANCE
Z IF	IA"'S I VU.LT,  l..o UOC.".IS)	GO TO 99
"!!l  IF'  I  IV-.:TCJl,GT.  ,.;:71.E-H  ,OR,  IVA,LT, 0,1	I	lalO TO b
IF	CVNT 1.,.1 oE'Q. FLOOPI	GC\ TO 99
UX=	-V TIJI  +  FLOOI?
GO TO 97
'+ 1f" I V T C wl ,E0,1..1, I	(;.I) TO 44 IF'IVA+VNTINP) -.LT. +S,IGC TO bb V:	EXP{VA -VNTINPII
XMMM:  AKINl(-AM.Lt-.,  llfolAXl
IF' 11/NT(JI/XMMM ,LT   OJ.)  XHAX:,OtlXMMM
IF 111/+Vf.llJJ l/XM"M oliT, ,C'll	GO TO 66 GO Tu 'IS
4 4  V	FLO O
GO TO
.. 5 V :  AM AX 1 IV I FLO i., P I
     ;, VTEC =	A Sll, - Vl-.;TIJI/VI COMMENT MINOR :.PECH TC'LEl-:ANCE
IF	IVTtO  ,LT,  ,CO('dl	GO TO 99
S 5 iJ X :  V -  VN TI J 1
LLIJl: o
1/NTlJl : V GOTOl!2
bb  \IA: VA+  ALOGIVt.T(Jll  + VNT1"4P)
    IF I A"'S I VIII - .av,ua I	99, 99, 67 &7 Vil: 1,C/VNTCJI
b DO	&9	J. :  l ,l S
IF  CXCIII	68,u9,hi
b" K :	IOJ ( I)
ve =	Vl3  + XlllUl!l/li TIKl

88

NWC TP 6037

f,9  CONTINUE
vr:o.
If' Clil111ol  .EQ. I.II	GO TO 801
H :')
If'	I J  L L   I G I H:  l.
vs:so1J1
00 H!IJ	i:1,IS
i<:IOJlll
If'  II\  .Lio  IGI  M:H  Y'iUIJ,I I
aru		vs:vs-v,11,,1J,llSLJ1111 Yf':AHAXllt'Jo, M/F /loC,R71 YSI IFCYF oCilo .c;YBI	YfF':l.'5
IF IYF o\:T, YBI vrr:.:..
IF' (l;F'  oC..T,  lo:.lttl  VFF: .
YF:VF'FYF
    lF' CKl:'(1.:.l .Nr:;, I	.,f.JTf.: 16,81:21 J,",VF,YJ3,PR,VA cVii. FORMAT l..?b, 11' :iil!. I
801If' CYP.1-JL.  0,1	l>C  1Ci 72
7 '..J Y	:   C 'hJJO O l
YrJ :  o99Q999
7., OX : VAIIV8VF'l
uic: A"AXllOX, Vl.l*Y'-TCJII LLIJI : ,;
97 [J)(: '-'O1(,1,(0X, v0XMII.I OX: AHIN.!CJX, \I0XHOI
If' UP..SIC.l!l oLT, .,.,rdVNTCJII	GO TOH
libS FOPMAT  li"itlP 13Ell.. I
81.. CALL SLITJ:: 1 1 IC : l
Al YNTIJI  :  \INTCJI   JX
A	VC:	.9"VNTIJI
U09t>	1:1,J:,

IF11,i u I..,,1 I E,.   r , I
Ii  :  I :'IJ I l I

CiO TO 98

V t;T I II I : VN Tl I< I If'	CVNT Od	,Gr,
lf'llllCI< ,E'rJ. l VD:VN CI< I
Ii ICI< :  1
JJ =  J
I I  :  I<
I\IC :  !
9 b  CONTINUE

- v .we Jtl	,.ox
vr, c,o To 98
. Ne.	YNT(l<I  ,CT. VOi  r,o  TO  9o



9V
1:i u
99 9
8&
10 7

IF CKICI< ,NC, 11 GO CALL TA 13 LO C II , .JJ, IC I< I CONTINUf
IF  11\Rlbl,NEdl   (;,0
RITE U,,'381CLLIJJI, FORMAT I lHiJSOIU CONTINUE
Rf.T;JRN
E "'ID

Tv 99

TO 107
JJ:: 1,NI

NWC TP 6037









Appendix I
LISTING OF THE XEP SUBROUTINES

     The following listing shows routines which modify the PEP program to evaluate gaseous detonation processes. Only those routines not common to PEP appear. XEP is run the same way as PEP except:
I. Option 9, the input of ingredients by serial numbers is not allowed.
2. Ingredient densities must be inputted as grams/liter instead of lbs/in3.
3. The first pressure in the weight ratio card is a guess for the detonation pressure. It must exceed the second pressure which is the pressure to which the detonation products are expanded.
4. A plot is generated by this program. The plot is only a convergence check and may be deleted.


























91

NWC TP 6037

SUBP.OllTJt-.1: HUGOcP=:,Ht.,V,PCINE,TONE,Hi;',VO E,SOI.E,HvNi:.1
OCOHMC,N Al12,121, ?RL .. r.1, 6HAT11.,,tz1, Jn1121, A!)Pt.C:1121, H,,  IS,
l F IE I l ;') , 6 I ,  IE I HJ , ( I ,	LP I 1 Z I , w 2 I ,  ,i I  Ei L Ol<i 1 L..,  1 , LJ H l .:; I ,  t{ HO I l 'l I ,
2ISERil1nlt  WAH.CHI,  Wll I,  111113,  IG,	NP,	VNTl2.,.ll, W117, t-.AHF=:, $ER
'iCOHHON  /l!IRIU"'I  Tll"<: .,,2,,  TUl2'1C,,?I,  W312rn1,  IH,Ul"u'.'.121, CA,
lTAU, HC2wOI, Su1,ru1, YC.?r>O),  JC:, Ii;>l?'"::,21, tMUl.?J l,  VLNKl,CCI,
IOJ1l21, 1ac2n.;,.:1, K111zc,ri,21, PCn.ic,21, Rf'C21."',21, l?El2:}.:.,21,
3RFl2Cl),Zlt  CHl .. ?1J,ZI,  JH,  11118,  CP,	FN,  cc12,;;:i;..1,  ::.P[CIEC'.?0:))
4, LL I ZIJO I
T UPP .:E,( ') 1..,,0 TLOW':29P,16 KR I 1 7 I : \
VNTlt-.J:'):. E.LOGll,,c71*TONt/VONEI CALL OUJ.LITONt.,Prr-.r,HONE,SONE,tl POr-.E : F.t-.VNT lrlPI
Z :H E HO N i.  C VO N t.  v I  I PP .p O IE I I Z , IJ
ZP: Z
DO I! J  :  1, ?.!
CF:	AMAXlll,'1,CFI
CF:	Al<llh1116,..,, CFI CV: CP  l,987lFN
tltLT AT :  +z /CV /CF
DEL T taT: HIN 110 t.LT T, ,i; I TUPP TONE 11 0 EL TAT: !-IAX 1101.LT t T, , i: *I TL Ow TONE)) TONE: TCNE+OEL.TAT
I FI A l:.5 C D t.L T AT I , U,, J. I l '"1, S 8, 8 8
ea  VNTll'.P):  LOGll,'ic:17lTONF:/VO"JEI
4 ClLL F.:QUJ.LI TONc.,Pvl,t: ,HON!::,SONE', 11
PONE :  F t-.V IH I r P I
Z :HE HON I:. IVON t.  v I I f'R -PONE I / 2, I')
Ci": ICZPZl/CCV!:'lt.L,HTII ZP:	Z
CALL 5LITET13,Kf'..,"FXI GO TOI H.,7111,KC'?:FX
74 IF12172,l0171
7l  TLOlil:TONc.
,GO  TO 7C
7.;  TUPP::TONE:
7 U CONTINUE
8 CONTINUE
10  HONE :  HCNE   '-
SONE : 5vNt + ,,TC l E KRl171 : "
11'"  I\/  , f;,., 1/0 t.l	uO TO 9"3


9	')

lIR: C C V Cl N t. / V I  C*:
ETU'1N
ENCi

H :'"  H UJ E I I I I V O NE / V I* * 2  1 , C I

















92

NWC TP 6037

Sli8RC.UT 11',F; PUT II-, C u:1
:1COMMON AC12t12l, l<RC;:'l), AMATll0,121, JATCl:>1, AioPE.CC121, IN,	IS, lFIEl!IJ,61,  IEl.1.0,6),  ALl>(t2),  lil27,  "'  BLOKCli:,:il,  uH(lul,  RHCClCI,
2 I SE  I I 1 IJ I ,  WA TE I,,	I ,  Iii 1 I 6 ) ,  W 43 ,  I G ,	JP , V NT I 21., 11 , '11 '+ 7,	N HE ,  SEP
COMMON/ I CINFO/ HU	C 6 I COMMON ITAGCll".,.1, kl"t,1101
OIMEt-.S10" ATlilTlluCl, Si.INGllOI, VOUTClDI OAU IRUl\/0 I
DATA UT.,TCII, I:	1,1C:Jl/l.O(i8,  4,'1C3,  6,941  'f,i:11.),  lla82,  12,011
1,14,C,18, lb,, 19,, 21.,,183,  22,991,  24,32,  26,9ti,  211,C , 30,975,
2 32,066,	S,457,	9.941t, "9.l, 4C.c;e, 44,'H,, 47,9, lji.J,9'>, 52,1,
4 54,94,	!:.8S,  58,94,  '58,71,  63,54,  6;.,.38,  69,72,  72,6,  74,92,
5  78.96,  79,916,  a?.e , SS.48,  87,63,  88,91,  91,?2,  9.Z,9l,  95,CIS,
6 </9,, 1 1,1, 1..,z,s,1, 1:::6,4, 1C7,S8,  112,41, 11'1,o2, 11t:,7, 1':1,76,
7 127,fl, 126,?.1.t  l31,3,  BZ,91,  137,!6, 13a.r,,z, 111....1:1, llii.J,9.,
a 1114,27,  1111.,  1sr.:H, 1s2,,  157,20,  1se.<i3,  1 .. 2.s1, 164,<:>4,  167,2
97, lt,8,9'1,  l13,C4,  174,99, 178,r:;u,  le.li,95, 1c3,P.6, 11:10,22,  l',:',2,
l 1<12,2,  ,95,09, 1<1., 22Ci,61,  zr,4,39, 2r1,21, .:"b,99, .ZlO., 2lJ,,
2  222,,  z.,J,, 226,,  2.:7.,  232,, ?.H,,  238,,  ,37,,  2'1:>.,  243,,  247.,
3 .?49,, 2:>1,, 2 4., ;:51,	I
l  FORlo'AT  C!9Il,  Al, Af.,  llf, IS,  151
'- FORMAT  c:io, 6CF3,3, 21, F7,C,  F6,C, 171
J FOFlMAT  C.1.2F6,6,  Ab,  nl
'I FORM A1"  C / l H  341.,  12 Ab I
5  FOAMAT  112H+IN<;RHIEt.TS 7CIX,  29H	WEIGHT	CAL,/1>0	UENSlTYI
o FOPMAT  C.2F10,ol
7 FORM AT  C .H	I
8 FOR IA .AT C Hi	5 A 6 , l X ,	l;: F .. 3,	f' 9 , 3,	F1 -; , O,  F 9 , Ii I
'> FOR"'H  C4 H' GPAlo' HOI' AMOUNTS FOR PROIIELLO,T Wt.IC.HT Of' f'9,31
1 i., F OR,- AT  C 4 H::J l 2 14 H	I A .i:, 4H I	I I
LE :: "

iF  IIPUNl
11 llf.AD  15 ,ll
DO 12	T :
Ii:	JATCII  :  ,:,

t<i,.t,19
CK R' I I I  I :-
1, 1,


1,191,ISERilll,  ISERI121,  Iln  IT,  rnU!'<!

DOU	J:1,tl,
1J EAD  15,d  CIJLul<l;,.n,  J:  1.s,,  IFlEII,JI,  Hl.,,JI,  J:
1 OH I I I ,  t<HO I I I
CALL STO.CHILEI D Cl 1 4 I : l , II IIIIATE"III : 0,
DO 14	J:	1,15
K :  J6T l,JI
14 s1ATECII  : WATEIII  + "'"ATlt,JlH111TIKI CALL SE t-lCHCLEI
REW P'I) 1..
C	THE NEXT 8 CARDS C NTRuL THF SC 4 ZQ OUTPUT ON PS uD U lT lb
19 CALL CH'RAV 111 OL L FR A MEV ';ALL CAlolRAV 121 CALL F'RAMEV
!t-.C : 1 19/l!r" + IN + IN+Jl/41 C ALL SC Ou TV 11 1 ! NC. I
CALL LOCSTVC33,lur1,a.1 CALL MAXFQM 1'5C..,OI
IF	Cl<Ql61  ,NE,  11	C:.C TO tB
PEAD  15,  !71
L< ITE C!a,171
17 FORMAT  Ii.CH
1
lo READ 15,JI 1111:.1, 1ollf.l, IWI,.,.GUI, I:	1,lCl,ISEKil I, JSERil4) wllITE IE-,161 C!SU-1111, I:	2,111
lb  FORMAT  llMl 3&ol




93

NWC TP 6037

If	(KQ( I . E. 11 GC. TO '?O
IS  :  IS	1
:?1. IRUN :  IRUN  -  l
KIHl'tl  :  1
If  CwINGOl  .r ...  n.1	GO TO 12['1
KRl191:  ".'
DO 21	J:	1,I ALPIJI : C'e
fJ021	I:t,Il'l
21 ALPCJI	ALPIJI  +	TCl,JlwINGCll/WATECll
W :?7 : I"
.11111= ....
w 43 : G 
V 1' :  1 
l)O Z 2	t :  1, Ii-,
SWI &CI I:	wIN lll
Wlllll: w1111,   ul-illlWINGIII
WZ7: W2I +  Wil,G(!I
IF I RHO,  111	r-:,,;; :- , .: 4
211 WIIJ: WII +  Wil,GIIl/liHOCII
GO TO 22
:? :,  VA :  'le
CONTINUE

1	,,.

,1113 : VA/W113	W.:7
1 F I KP C II I  N[  J I	G C TO 2 3
IF	I Kfl I t 71  E 0  l I	l O TO 2 3 Wll I: i.tl ll14,7uG.9
IF IKRl71 .lQ, 11  GCJ TO 23
wllbl:	lltill.4,7JCf.Q l;RlTE. Ch,111 (ASl'FCIII, I: l;RJTE I c,111 IIISPfClll, I: WRITE: llt.i,51
WRIT( I  bt71
wPIH: llc,71
Cl O 2 7	r :  \ , J :,
IF  IKPC I  ,NC.  JI	G0 TO 27






1,B I
1,Isl

''

\jfiIH I  ti,81111.0KII,JI, J:	1,511  CA HCI,Jl1  .J:  l,l:?l,l>WHH:illl,
lOH(II,  l:!Hllil
27 1,PITt. Clu,BIIBLOI\Cl,.;), J:	1,SI,  ( "1ATII,JI,  ":	.1,,121,SwlNl>CII,
lDHII I,  r> ol II
H  FOR"4AT  l,.'lHCH"P VCLUn RATIOS: lCF\Ce!)I
s u : ,,
D O 311	l :;. 1  T 1,
311 SU:	SU   wINGIII/RhCHII
DO 35	I :: 1 , I 1,
3 5 V OUT I II	: Ill IN G I I I /RH C (I I /SU
 q IT E I 1 o,? t, I  I VOL' TI 1 l , I :  1 l N l
WRITE  C  c.,' l W27
WRITE lli,,91 W .. 7
RI	T E I  ,;, , l ', I  I A!;; r E. C I I I,	I  :  1, I S I
1oRIT1: lhtlGI  l :)l'lCIIl,  I:	l,ISI
WRITE  I  b1&l  l"LPII1,  I:	1,lSl
P.ITE Clb.61 IALPl111 I:	1,ISI
IF  (I\Pl.:'1  ,Nf.e  1)	G1., TO ?8
lS	:  !S	+ 1
Z c  IF	CL I'.' , I\ f.,	11	IJ I"  Tc, :>9
IF	CPU'!  ,EC,  ul	IJO TO
00 3l I=	l,I UN
Jij  Rf.AO 15 1.41
o1P.ITt. C 1,,331 I r,uN : ,,
:U  FOR AT  (:,?1-;Q"'AYIH.  rn1s TI"'ID MONITOP WILL TRV TME NrXT SYSTEM.
Z <, RETU N
!::NO

NWC TP 6037

SU8ROUT It. PVPLOT
OCOHHON A(12,121, KRC;:ri1, H1A1C10,12), JATC12l, ASF'ff:1121, H;,  IS, lF1Ell0,6lt  IEllO,bl,  ALPC12l,  W27,  N, BLOKl!U,:il,  LHClOl,  RH,l(lOl, 2ISERil10l, WATEC1Rl, Wll6)r Wij], IG,	NP,	VNTC2U11, W'47, NAME, SER OCOHMON /lBRIU / TLIZCC,21, TU(:?r,0,21, W3C201'Jl, VNUc2c:o,1,::1, QA, 1rAu, H(2 0l, SuC2GUl, YIZOOI, JC,  1Ri200,2l, DHUl2un>, VLNKC2 o,,
2IOJC12>,  Al201.1,Z>,  tl IZ00,21, IH.1200,21, ROC2!.i'l,.!l, PEl2Cln,2>,
3RFC200,2l,  CHc .. 00,2,,  JH, W'48, CP,	FN,	c112,.:c;;1,  !;PEClECZul''I
14,LLIZOQI
COHMON/EAPLO/  VLl?1.;), PL(20l, VELCzn,, HTC2r.1, TET12CI, l;E
C ALL GR I C1 V  C 1 ,   2 ,  l  ,  0  ,  b nr C  ,   n1 ,  10 C'  ,  l 'J, lL; , 1  , 1 u , ;: , ,. I
DO 19	I  :	l,"IC:
IXl  :  IX.:.
IP1	:  IP"
1S1  :  IS,
IVl	:  IV.i:
ICl	:  JC;:
1X2 : N ll' VIV LC l I) PLCI)	PLIIl.nu. HTCI): t.TIIl/!O,
IP2 : NY CAl"INlCPl.111, 60(10,11 1S2: NYWCA"41NlCHTl11, 60,,C.ll
1V2: NYIICAMINlCVtlCll,6000,H IC2: NYIIIAHINUT TCI>, 61"100,ll IF l11EO oll	GO TO 1
CALL LINEVIIX1,IPl,IX2,IP2l CALL LINEVCIX1,IS1,I ?.,IS21 CALL LINEVIIX1,IC1,1X2,1C?.I
rF tl  , . NEI  GO TO 19
    CALL LINt:VIIX1,IV!,IX2,IV2l 1? CONTINUE
CALL APLOTVC30, VL,  PL, 9,9,1, lHP, NLASTI CALL APLOTVC3CI, '!l., TtT, 9,9,1, lHT, NLASTi CALL APU,TV!30, Ill, VEL, 919,1., l V, NLASTI CALL APLOTVC30, VL,  HT, 919,1, lHH, NLASTI
CALL PRU.TVC33, 53HVOLUME RATIO ALONG HUGONIOT CURVf.', Ub,6 l
 CALL APRNTV 10,H,, t.1, 61HPRESSURE nno	Hi.:HPEIUTURE	IIELO lCITV	ENTHALPY /11..	,11, '>921
RETURN
ENO




CHAIN PROGRAM
('COMMON Al12,1Zl, KfilZI'!), AMATl10,121t JATC12l, Ai:oPECtl21, IN, IS, lFIECll'J,61,  IElln,-1,  ALPll2l,  W27,  N,  BLOKll0,$1,  OHltOl,  RH0110l, 2 I SER 111 r. I , WAT LI lC l , W 1 C 61 ,	W ij 3,	I G , NP , V NT C .! 1.11) , W 14 7 , NAME , SER
OCOHl"ON /l'3RIUM/ TLl2L"l,21, TUl200,21, W3!20t'I, VNU1200,121, QA, lTAU, HC2't;OI, Su(2"0), vc2no1, ..'C, IRl20!'1,ZI, OHU(2C,O), VU-lK(2(i0), 2IOJC121, RAC20U,2l, f<Bt20U,2lt RCCZOCJ Zl, RDC.:li0,21, REC.;:Hit-'>,
3RFl2U0,2l,  CHCi00,21,  JH,  W'48, CP,	FN,	Cl12,20 >,  SP CIEC2001
14, LL I 200 I
COHMON/f:XPLO/ IILPOI, PLl,?l, VELC201, HTC2C1l, TET1201, HE COHHON/MUON/TSTEST,Tl
7H1FORMHC19HOINIT!AL  DENSITY:  ,Fl2,b,6X,19HIN1TlAL PRESSURE:  Fl2o6
1/23HOOETONATIO  PPESiURE:  ,F12,5,bX,22HOETONATION  VELOCITY  :  ,F12
;: 5,
6bCFORHATC19HOH:AT OF RllCTION :,F11,2,13X,19HPARTICLL VELOCITY :,F12
1.21
3.50FORMATCH.H01MPULSf FRO ISENTROl'IC EXPANSION: ,F111,5)
8888  CONTU4Jf
II CALL PUT IN  CLE I
PI	: W l 161
HIN .. Wl 1111
VIN : lo9871w27/ 1131. a..:ns

95

NWC TP 6037

TE: 3 u'10 .;
CALL GUE:.SITE,PINl CALL C:Jnt:.T IVMlNI
CALt       HU301PIN,Hih,VIN,P2EPO,TE,MRZU?O,V.,.IN,SZER0,HZEil01 T CH: TE
HE :  HP1
803	VWAVi::SQRTl837 ,uIHf<7EROHEI/W271
90 S LS =  1
CALL OUT  IPZERO, TE, HZERO, SZERO, LSI
PR :  Pl tJ
90t, olRITEl16,71)Wll31PP,P.;ERO,VliUVE
WRITE! 6177)Wll3,Pr.,pzF:RO,VWAVE
907 SOUNDV: S lllH CB J 72. :'. l 11RZE.!)O-HZC!?O I/Ii 271
PART v:V WAVE S01.Jt.jOV SVSENT:S,ERO
CALLS  PAL  <TE, PP, 1HE,  SYSENT,  TCH,  11
OHE :HE
CALL  EOU.ill298olb,PR,HE,E"'ITR,OI OHREAC : (HZERO - Hi:: 1/lOOC'.
WRIH116 ,6& lOHhEH ,PARTV
lilRITEI  6,6&10HHEAC,PARTV
FSI: 9d2911*S'-RTIIH.:F.:RO - OHEIIWZ71
U Rl TE I 16,  33 IFS .L
WRITE( 6,331FS1
lCl Ll CONT lt.lUE
CALL PVPLOT
GO TO set:,
ENO




SU8RvUTH.E  CJDc.T  IV!o!lt.ll
::COMMON  Al12,121,  liRlilJ),  At-lATll",121, J Tl121,  A;,Pt.CIL?I,  IN, 15,
lFIEll0,61, ItllC,t,1, ALP(\21, W27, N, BLOKl10,!>l,  CJHltCl1 RHOllOI,
::1SER111 1,  ..ATc.llll,  Wll&I,  1,1113,  Iu,	NP,	VNTl2L.1lt W'+"', NAME, SE'?
COMMuN ne IUl'I/ TL12,:r,21, TUl21"11J,Z), iil.3(2Ql}I, VNU(';'.'CO,lZJ, '1 , lTblJ, Hl"'uOI, Sul '"Dl1 Vl21'1011 JC,	IPC21'.10,:?), OMUIZul"ll, VLNKl t:'CI,
210Jl171,  qAl:!ti,	>, f<tl(,01",21, RCl;!:".f,,'21, RDlZ.,,,,21, REld.1012',
3,.r,200,21,  Cl	,,41,  JM,1114&,  CP,	n,,	Cl1Z,2'J:.il,  :i,:Of.CIEl.'un)
4,LLl,:)0  I
CCMKON/1::>.PLO/ 1/Ll u,, Plt:'GI, VF:L(z,11, Hll,r), T Tl'.?01, NE CO!oll"QN/ i;ot-. /TS 1!:::i, TIT C..MC:
PIN: loll I
H lh	: W 1 ( Ii I
\llh  :  1.-.A7lW.:7/' ll?/,.i8.:"5
\/ONE :  v.;.
CALL  HUGC  (PIN, 1-1;"',  VI'I,  PONE",  TCNF:, HROl!Et  vo1.. ,  SONt,  HOts!(.I
IILl2): 
Pl(21: PON r.
IIELl21 :. +l::;r,r,,,. ul1..11tri.::. HTl 'I: 1-.0NE'HlN
HT I;: I  :  TONE:
\IONE :	,:.SIIIN
CALL HU Gu IPIN, Hlr,,  VIN, hir-.E,  TONE t  HRONE,  VC.NE t	ONE,  HONEI
\/Lill: .c;5 PLI 11 : l>Ct,,
\IELlll : SQRTlo37:.IHPON""HI111/l.:!71 HTllJ: t,QNE-H!N
TtTlll  :  TONE
NE :  '2
LIL :  ,:5
I"  :  l
DO 19	II  :  !,q
NEM  :	Js -l


96

NWC TP 6037

Ii O 1	:  r,,, E. 
IL	:	JE   2 +  i 11 -  l
V I.C I LI : VL I I L - ) P LI IL I  :  PL I IL -2 I
TETIILI: TETIIL-,'.I VELIILI  ;; Vf.LClL-?1
1, HTC IL I : HT I IL -21 VLCI11+1l:  VLClM) PL C IM 1 I : PL C l M I TE' T C IM + 1 I : T E 1 I l ,q HTC I 11  1 I : I-IT C l'11
I/EL C J.M  l I :  VE L. I .L  I
VL I I "1+:? I :  \IL C lM  11	  uL
VLIIMI : VL ll"ll - Lil IL : IM :
00 15	J:	IMolL,
\101,E :  VLCJ l*'I ..N
C4LL HUGO (PIii, HH,, VIN, PON:, T,,tiE, Hl?ONE, VuNE, SUNE, HONE.I PLIJI: PON[
VEL IJI	: SQ FH Ill 7 4 * CHRONF.'-H I .) /'rl27 I
T('.T I JI	:  TON
1 :. HT I J l :	hO E -  HI t
A \ :  VE L I Ifll + l I
A':; :  CVELCIMZlllf LI !'411 /2,/0L
,\3: IVELf!flll  + HLIIMZl  -  2,VElllM+lll/2,/0L/iJL
VMINP :	Vf'IN
VMlN :  VlllM+l)	AU?,/A3
OELP :  Ot.l
OEL :  AP.. CVMIN-VMJ!l,Pl
:JO 17	I  :  1,2
    IF	IVF:LLl'IJ ,LT, Vt.LIIM+lll	GO TO le 17JM:!M+l
1o NF. :  "IE  l
1 9 D L :  DL /.: 
V Ml N :	V MIN *VI t,;
RtTUR'- END






























97

NWC TP 6037









Appendix J
SUBROUTINE VERSION OF PEP

     By exchanging the main program and input routine with the subroutines below, one obtains a version of the program that may be made a satellite of another main program. This has been done for the final reduction program for airbrcathing propulsion tests. 15

SUBl:OUT I 1',,:: PF P
UCOHHON AllZ,121, Kk(.:rn, HUTlll'l,12), JATCl:?1, ASPLC(lZ), 11-;, IS, lFIEfl0,61, IEllO,fI, 4LPft21, W:?7, N, BLOKll1J,!>I, I.IMCJOI, RMOflOI, 21SER1C10), ..:ATd..1, Wll6), 11113, IG,		NP,	VNTl2U11, W117, NAH!:.:, SER ('COMHON  /l Ril! / TLc:t.n,?1, Tuczno,21, ll3120CI, vtw,,.00,121, QA, lTAU, Hf?L-ri>, Sul,1!111 Vl:?1'101, JC,	IPf:?0 ,21, OHUC,1.,11, VLNkl200l, 2IOJll'.'1,  RAl2C'u,,1,  i;, 12on,21,  RCIZ'lr,21,  Rnl21.,0,2>,  11EC200,2),
3RFl201'.', 21,  CHl"Ou,21,  JH, WIIS, CP,  FN, c112,2ou, !,PECIEC:?uOI II, LLC ZIJO I
COHHON/ MC.ON ITS TE, , Tl:., IRUN
 C OHM ON/ P t:SUL T / Pl I I , AST PI , G AH I 21, CF I 2 I, EV C 2l , R l SP (2 I , OE XI?> , X T HR T I ?I , T!: X I 2 I , TC r. HP. , E t-;TH I 2 I , EN T RO I '? I , GA SH f 2 I , i-1TV f.: I
T CH : 311 "7.
Tr:.:  A AXHTCH,  !HiU.r.)
1:,iEST  :  'l
TE' = AH I t,1 I TE , 50CJ C,  I
P'i:wll5>.
15  IF  (I\Pf7)  .[o.  '.JI	Gu TO 111
T:: :: W lI  b I
VIJTlt-;PI  =  LOGl.uf2u$1c.ll61/W1CSII
CALL EOU.ll ITE, Pf,	HE, SI", 11 PR : FN  V"IT CNP I
SVStt;T  :  St
C,Q TO 8
llj	CALL H eAL CH.	P'<,	'!'SENT,  11
1 i.: T CH : TE
T CO H b:T Ch

[NTH Cl I =11 lj)
E'HPOl 1 I =sv 50tf
GlSl-411):fN
R TV I 1 I: Vt,,TI NP I
GA,-.Cll::CP/ICP-FNl.96711 GAS,...i:'l=l
Ir;P: lG + 1
00  1	I:lGP,N
GASl-4121 :1;j MI ?l+vtnt II
cl Rf TU RN
ENO

' J/11=. ,_r..ii/;S II -	 ,
Ii'' "'-' I-MG PAGI NOT FILlW>
/	"ll.ARl(
..............	...



15Naval Weapons Center. The Final Reduction Program for Airbreathing Propulsion Tests at TRa11ge, Theory
and Usage, by L. R. Cruise. China Lake, C'.uif., NWC, January 1978. (NWC TM 3364, publication UNCLASSIFIED.)

99

NWC TP 6037

SUB ROUT I l f'	PU Tl1,i C ISER, WT SI DlHE1,iSlOt,,  ISER(lOI,  ..rs11r1
OCOHHON ,\(12,121,	ki.:,01, AHiT!ll'!.1211 JUC1711 &SPt:CC12>, ll'.:1 1S, lfIElla,61, IECl/),f), &LPl121, wn,	N, eLOKllG, >, IJHllO>, RHOClOI, nsERllll"I, IIAH.!H'I, W11'11, w43, lG, NP, VNT12 ...11,	W47, NAHf., SER
C OH H ON I TAG 11 1., I , Ill 11,G 11 0 I C 01-1I" ON/ I i.. IN FO / AA U t 6 I
DIMENSION &TwTllOOI, Si.INGllO>
COHHON/ HOON /TS TEST, TE, IRUN
DAH	IATi.TIII, 1:	1,Hl01/lo0l18, 40no3, 6.941	.ul.3,  1008?,  12.011
1,llf.0'18, 16., l9o, 2Lel113,  22.991, 24.32, 26e9cl, 200u9, JQ.975,
2  32.0!.6,  35.11 ,,  39.9411, !9.1, 110.os, 411.96,  47.9, sc.9s, s2.r:,1,
4  54.94,  S!ieSS, Sd.911,  58.71,  63.S4,  65.381  69.72,  72.61  74.9,,
5 78.96,  790916, cl!eBC, 8S0481 87eb31 88091,  9le:72, Cl e91, 95095,
6 99., 10.!el,  lu2o'H, h'6e41  107088,  112,41,  l11toll2,  l18o7,  121076,
7 127.61, 126.91, 13l.3, B2.91,  137.361  1.1a.921  l41.oe13,  l4u.91,
8 1411.?.7, 14 7e,  15'1 35,  1520, 157026, 151'o9 31  lb=' Sl  lbll,94, lb7,2
97, 1611.91!,  173.04, 1111.99, 11e.so, 1ac.95,  toJ.s&, 1116.22, 19ri.2,
1 192.:?,  l9S.ii0,  l"1., :::,0.61, 2t"4e39, Z!"7e21, ,l'.la.991 21c.i., 210.,
2 222., 2.:3., 2.:6., ,z1 7.32., 7.31., 23S., z:n., 2.l7etl2,0l,9.031t
3lt"e82,24.3Z,26.96,   253.	I
L : r,
I F' I 1 PU J  N E   JI	c,0 TO l'i
110012	1=1,1..
1.!  JATIII  : ':
KP:1
REWI l D 1.i.
r.oc 111,11101 v .. D O 1 3 I : l , I ,. i<:ISE,D( I I
.F	CI\P  .LTa  Kl	uC TC 1117
EiilNO  ll
Ri:::ADCtl,ltlGl'O,
KP:l
l 117 0 0  l 113	.i=K P, K
llll READ C1111110ltV1,iTILl,L:1,l2l
111'..i FOR"' AT  ( d  Ab, A I
KP:1:1
1115 CONTl IJr
l.3    OECOOEC2,\'NTI  C1.1L0lltl,Jl,J;l,Sl,CFit:II,Jl,IE:I  I1J>1J=l,6l1 l DH I I I , r.HO I I l























100

NWC TP 6037

,	FO l'!AT  C!>A6, E>CFJ.3, &21, FS,C, F6,':', 171 OLL ST OJ.CH CLE I
I.IO 1 '+	I :  l , I r,
liATEC!I  : C',
DO l'+	J:	l,I:;
K =	JA T C"' I
l<, 10.TEIII : wATF:CI) + A!>tATCI,JlATWTCKI c.&LL SEARCHCLEI
1 o IF	I Kl? I i' I , NE,  11	G C TO 19
1S	:  IS	1
19	DO 1199  l:l,IN
1199 WING :JI :.T IT I Zu KR(HI
0021	J=l,I:.
ALP CJ I  :  11,
DO 21	I  :  1,H.
Zl  ALPIJI:  ALP(JI    HlATII,J>WIPvGCIJ/1,ATECII
:n :: o.
W1C'+I: "'
w '+3 : Cl,
VA: 1,
DO 22 I : 1,IN
SldNGII I  :  llINC;(l I
Wll!I: 111141  UHIIhWINGIII W27 : wn  WING( Tl
Ir	( RHO I .l I I	2 5, 2 ., 2 4
2'+ W43=  W4J   WINGIII/P.HOCII
GO TO:!.!
ZSVJ:"1,
22 CONTINUE
Wlf3;; VA/W43	W27
12 &J IF	I K ( 4 l , NF.:, 11	CO TO 2 3 IF CIIRC171 ,EQ 11		to TO 23 111(51: 1111Sll.4,7UOf.9
IF  I KR C 7 I , EQ,  11	Ci O ro :? 3
Wll61:	11 1/!lf.70 69
23 Do 27	I:	l,t
27IFCKP.121 ,NE,  11	GO TO 28
lS  :  IS	 1
28	CALL   GUE:.SC2SC1u,,':iu, 1
29  RETURN
ENCi






















101

NWC TP 6037







NOMENCLATURE



s
N
C
cik


Note: Symbols are listed in the order or their appearance in text.

Number of chemical clements
Number of molecular species (N	S) Molecular composition matrix Elements of composition matrix

i(j) I "'- j <.. S
bjk = ci(j),k ni(j)
B
bjk
V
Ki gi R T

llj
I
llj

A given cht,ice of basis species Composition matrix of basis species Molar amounts
Optimized basis matrix Element of basis matrix Matrix of reaction coefficients
Equilibium constant for ith reaction Gibbs free energy for ith species
GilS constant (1.9871 cal/Kmole = 0.08205 Q-atm/Kmole) Tcmper:1ture
Small difference in reaction coordinate Molar amo11nta	.
New composition after adjustment of ni


'Yi(j)

Phase parameter {	1 for gas	}


for

ith species


A

I'
Qi
J1T)
Jl!T)
flu

N
l'/f:1 = RT/ V
Pressure
Guess for equilibrium constant
H(T)  H0 or S(T) - S0 in enthalpy or entropy balance procedure nthalpy at temperature T
Ref<;:rence enthalpy.


S(T)
So Cp K
H1, l ,Tt .St l't
Hi,V2,T2.S2J'2

Entropy at temperature T
Reference '!ntropy
Spedfic hr.:1t at constant prrssure Degrees Kelvin
Chamber state variables Exit plane state variables

,r	:PAGB M(tf FII.IIED.
'ILAMIC
- . l'.,<--. :.:.L.  ttiii',.:,:-.."'.,t1..-.-,,, - , . ,. . ,.,,..,._,_,	.,,, ,. .....  .... 	-



103

NWC TP 6037


V1.V2
lsp
K.MKS J
m
'Y
[,
'Ye
'Yv
m k p V
A
P"',A"'
Cf
c
KH'S
t:,.U
K
p*

Volume
Specific impulse
Acceleration of gravity in SI units Mechanical equivalent of heat
Mass
Cp/Cv = ratio of specific heats Conversion factor
A parameter that equals 'Y only for a perfect gas
lsentropic exponent (PV'tv = constant). A parameter that equals 'Y only for a perfect gJs
Mass flow
I o3 liters/m3 Density Velocity
Duct cross-sectional area Nozzle throat values Throat coeff;cient Characteristic velocity
Acceleration of gravity in common units Ideal boost velocity
Acceleration due to gravity Switch density

























I

104






INITIAL DISTRIB\JrION


20 Naval Air Systems Command
AIR-038 (;)	. AIR-03P2 (I}
AIR-03212 ('2)
AlR-320 (1)
AIR-320C, W. Vo!i (1) AIR-330 (0
AIR-340B (I)
5 Chief 0f Naval Material
MAT-030 (I) MAT-0308 (1) MAT-032 (I)
5 Naval l:l sr .tems Comma:1d SEA-03 (I)
SEA-031 (1)
SEA-033 (1)


AIR-5('3 (1) AIR-503E {l) AJR-510B {l) AIR-5108 (I) AIR-5109 (1) AIR-5203 (I) AIR-520.32C (1)

NSP-27 (1)
NSP-2?31 (1)


SEA-04H (1)
SEA-6531 (I)


AIR-S312 {l) AIR-53232 {I) AIR-5332 (1) AIR-5351 (l) AIR-5366 (1)
5 Chief of Naval Material

3 Marine Corps Development. ;:ll'td Edur,ation Collimand, Quantico (Marine Corps Landing Force Development Ccnt.::r)
i Air Test and Evaluation Squadron 5
I Fleet Analy:;is Center, i)cal Beuch (Library)
1 Naval Air lJ.cvelopment Center, Wa;rninster (Code 3014}
1'	1 Naval Ammunition Depot, Hawthorne (Code 05, 1<.obert mpiey)
1 Niwnl Explcisi.ve Ordna,1ce Disp()s1.l Facility, India11 Hea.d
1 Naval Intcll:lgence Sur1!urt Cent, r (OOXA, Cdr. Jack Darnell) 6 Naval Ocean Systems Center, San Diego
Code 13J (1)
Code 61:13, R. Hagan (1)
Code 6341
Carah,er (1) Rathson {l) Sha<lduck (1)
Sorenson (1)
1 Naval Ordnance Station, Indian Hrtud (Cod1i P&, A. T. Camp)
1 Naval Postgraduute School, Mont-.m1y (Prof. NetS,'lr)
1 Naval Ship Research and Developmemt Center, Bet;,escta (Code 166, John F. Talbot) 5 Naval Surface We:,poos Center, Dahlgren Laboratory, Dnhlgren
Code CG-3:, (!) Code DG ('1) Code DG-:iO (I)
Co<lt1 CR-'l2, E. Baroody (2)
2 Naval Surfa,;e Weapons Center, White Oak
Code 31'l, W. C. Raglld,,tle (1) WR-12, H. Hel\er (1)
i Nav:;,J Intelligence Support Center Liab.:m Officer (LNN)
l A.-my M.il:erlel R 11iliness Comrn::1id1 Rock 1s!and (D SARUlM)
1 Army M,i5.sile Rese3rch and Development Command, Redst{mci An-,nal (AMSMI-RK., Dr. R. G. Rhoades) 4 Army Armament Res,,i&rch and Dcweiopment Center {SMD, Conc.:1?ts Branch)
I Army P.!a'liistlc5, Rt:seuch L!horar.ode1,,, A'berd1:en Proving Ground (DRDAR-TSB-S (ST!NSO))

2 Air Force 'iystems Command, Andrews Air For.:e Base DLFP (1)
SDW (1)
1 Air Fmce Aero-Propulsion Labon:tory, W!lght-PaHerson Air Force Base (RJA)
8 Air Force Armament Laboratory, Eglin Air Force Base
:CLD(l)	DLO(l)
DLDE (1)	DLODL (1)
DLJW (I)	DLQ (1)
DLMI, Aden (1)	DLR (1)
l Air Force Rocket Propulsion Laboratory, Edwards Air Force Base <MKCC)
1 Air Force Rocket Propulsion Laboratory, Edwards Air Force Base (MKP)
1 Foreign Technology Divisicn, Wright-Patterson Air Force Base (Code PDXA, James Woodard)
5 Wright-Pattermn Air Force Base
AFAPL
RJA (1)
  RIT (I) STINSO (]) XRDP (I) XRHP (!)
 I Defense Advanced Research Projects Agency, Arlingto11. 12 Detense Docllmen!ation Center
l Department of Defense Explosives Safety Board, Alexandria (6-A-145)
1 Lewis Research C<lnter (NASA), Cleveland
l Aluminum Corporation of America, Alcoa Center, PA (W. E. Wahnsiedler)
1 Applied Physics Laboratory, JHlJ, L?.urel, MD (W, B. Shippen)
I Atlantic Research Corporatirm, Gaincsvllle, VA <Phillip H. r raham) I Beech Aircraft Corpor;ition, Wichita, KS
J Convair Division of General Dynamics, Su,1 Diego, CA
I Ford Motor Company, De<irhorn, MI (C. J. Litz, Jr,)
l Grumman Aerospace Corporation, Bethpage, NY
l Holex, Inc., Hollister, CA (Howard Dilts)
1 Honeywell Corporate Research Center, Bloomingt m, MN
t Hughes Aircraft Compa"y, Culver C!ty, CA
l Hughes AHcraft Company, Missiles Systt1ms Divi lon, Canoga Park, CA
i MBA Associates, San Ramon, CA (Glen Hopkins)
J McDonnell Douglas Corporation, St. Loui ., MO {J, L. Bll}dsoe, Dopt. E241) 1 Marquardt Corporation, Van Nuys, CA
l Martin-Marietta Corporation, Orlando, FL
I Montan:i. Energy am\ MHD Research and Development Institute1 Inc., Butte, MT
l North American Hockwell Corporation1 Columbus, OH (R. C. Wykes)
l Olin Corporation, Ener y Systems Division, Marion, IL (I. L. Markovitch) 1 Ryan Aeronautical Company, San Diego1 CA
1 The Boeine, Company, Seattle, WA
I United Aircraft Corpo,ation, East Hartford, CT (Research Laboratories, R. I.. O'Brien) 1 United Technokigics, Clrnmical Systems Division, Sunnyvale, CA (T. D. Meyers)
85 Chemical Propulsion Mallirig List No. 271 dated October 1975, !.ncluding categories 1, 2, 3, 4, 5





 H1C 1119 ( 5/79) 335
