*******************************************************************************

NASA-GLENN CHEMICAL EQUILIBRIUM PROGRAM CEA2, MAY 21, 2004

BY BONNIE MCBRIDE AND SANFORD GORDON
REFS: NASA RP-1311, PART I, 1994 AND NASA RP-1311, PART II, 1996

*******************************************************************************

problem
tp t,k=650,670,690,710,730,750, p,bar=45,55,65,75,85,95,
react
name=CO2 wt=1000
name=FeS2(cr) wt=50
name=SO2 wt=1
omit
COOH C2 C2H CHCO,ketyl C2H2,vinylidene CH2CO,ketene C2H3,vinyl
CH3CO,acetyl C2H4O,ethylen-o CH3CHO,ethanal CH3COOH (HCOOH)2 C2H5
C2H6 CH3N2CH3 CH3OCH3 C2H5OH CCN CNC C2N2 C2O C3 C3H3,propargyl
C3H4,allene C3H4,propyne C3H4,cyclo- C3H5,allyl C3H6,propylene
C3H6,cyclo- C3H6O C3H7,n-propyl C3H7,i-propyl C3H8 C3H8O,1propanol
C3H8O,2propanol C3O2 C4 C4H2 C4H4,1,3-cyclo- C4H6,butadiene
C4H6,2-butyne C4H6,cyclo- C4H8,1-butene C4H8,cis2-buten
C4H8,tr2-butene C4H8,isobutene C4H8,cyclo- (CH3COOH)2 C4H9,n-butyl
C4H9,i-butyl C4H9,s-butyl C4H9,t-butyl C4H10,isobutane C4H10,n-butane
C4N2 C5 C5H6,1,3cyclo- C5H8,cyclo- C5H10,1-pentene C5H10,cyclo-
C5H11,pentyl C5H11,t-pentyl C5H12,n-pentane C5H12,i-pentane
CH3C(CH3)2CH3 C6H2 C6H5,phenyl C6H5O,phenoxy C6H6 C6H5OH,phenol
C6H10,cyclo- C6H12,1-hexene C6H12,cyclo- C6H13,n-hexyl C7H7,benzyl
C7H8 C7H8O,cresol-mx C7H14,1-heptene C7H15,n-heptyl C7H16,n-heptane
C8H8,styrene C8H10,ethylbenz C8H16,1-octene C8H17,n-octyl
C8H18,isooctane C8H18,n-octane C9H19,n-nonyl C10H8,naphthale
C10H21,n-decyl C12H9,o-bipheny C12H10,biphenyl Jet-A(g) HNCO HNO HNO2
HNO3 HCCN HCHO,formaldehy HCOOH NH NH2 NH2OH NCN N2H2 NH2NO2 N2H4
H2O2 (HCOOH)2 C6H6(L) C7H8(L) C8H18(L),n-octa Jet-A(L) H2O(s) H2O(L)
output calories
plot p t mw m
end

OPTIONS: TP=T HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F INCD=F
RKT=F FROZ=F EQL=F IONS=F SIUNIT=F DEBUGF=F SHKDBG=F DETDBG=F TRNSPT=F

T,K = 650.0000 670.0000 690.0000 710.0000 730.0000 750.0000

TRACE= 0.00E+00 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00

P,BAR = 45.000000 55.000000 65.000000 75.000000 85.000000

95.000000

REACTANT WT.FRAC (ENERGY/R),K TEMP,K DENSITY

EXPLODED FORMULA
N: CO2 0.951475 0.000000E+00 0.00 0.0000
C 1.00000 O 2.00000
N: FeS2(cr) 0.047574 0.000000E+00 0.00 0.0000
FE 1.00000 S 2.00000
N: SO2 0.000951 0.000000E+00 0.00 0.0000
S 1.00000 O 2.00000
 SPECIES BEING CONSIDERED IN THIS SYSTEM
(CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES)
LAST thermo.inp UPDATE: 9/09/04

g 7/97 *C tpis79 *CO g 5/01 COS

g 9/99 *CO2 g11/01 CS g 6/95 CS2
n 6/01 C2S2 n 6/01 C3OS n 6/01 C3S2
g 5/97 *Fe j 3/78 Fe(CO)5 j 9/66 FeO
g 5/97 *O tpis89 *O2 g 8/01 O3
g 5/97 *S tpis89 SO tpis89 SO2
tpis89 SO3 tpis89 S2 tpis89 S2O
tpis89 S3 tpis89 S4 tpis89 S5
tpis89 S6 tpis89 S7 tpis89 S8
n 4/83 C(gr) n 4/83 C(gr) n 4/83 C(gr)
j 3/78 Fe(a) j 3/78 Fe(a) j 3/78 Fe(a)
j 3/78 Fe(a) j 3/78 Fe(c) j 3/78 Fe(d)
j 3/78 Fe(L) j 3/78 Fe(CO)5(L) g11/00 Fe.947O(cr)
g11/00 Fe.947O(L) g11/00 FeS(a) g11/00 FeS(b)
g11/00 FeS(c) g11/00 FeS(L) j 6/66 FeSO4(cr)
j 6/66 FeSO4(cr) j 9/77 FeS2(cr) j 9/77 FeS2(cr)
g 1/01 Fe2O3(cr) g 1/01 Fe2O3(cr) g 1/01 Fe2O3(cr)
g 1/01 Fe2O3(cr) j 6/66 Fe2(SO4)3(cr) j 6/66 Fe2(SO4)3(cr)
g 1/01 Fe3O4(cr) g 1/01 Fe3O4(cr) g 1/01 Fe3O4(cr)
g 1/01 Fe3O4(cr) g 1/01 Fe3O4(L) tpis89 S(a)
tpis89 S(b) tpis89 S(L) tpis89 S(L)
tpis89 S(L) tpis89 S(L) tpis89 S(L)

O/F = 0.000000

EFFECTIVE FUEL EFFECTIVE OXIDANT MIXTURE

ENTHALPY h(2)/R h(1)/R h0/R
(KG-MOL)(K)/KG 0.00000000E+00 0.00000000E+00 0.00000000E+00

KG-FORM.WT./KG bi(2) bi(1) b0i

*C 0.21619759E-01 0.00000000E+00 0.21619759E-01
*O 0.43269222E-01 0.00000000E+00 0.43269222E-01
*Fe 0.39653044E-03 0.00000000E+00 0.39653044E-03
*S 0.80791286E-03 0.00000000E+00 0.80791286E-03

POINT ITN T C O FE S

1 17 650.000 -11.706 -42.107 54.208 -5.047

ADD Fe(a)
1 5 650.000 -11.839 -42.031 -4.071 -5.045

ADD FeS2(cr)
1 6 650.000 -24.396 -35.750 -4.071 -17.990

ADD Fe3O4(cr)
1 8 650.000 12.196 -54.320 -4.071 -17.990

REMOVE Fe(a)
1 9 650.000 -15.111 -40.392 -22.641 -8.705

2 1 670.000 -14.609 -39.600 -21.764 -8.741

3 2 690.000 -14.139 -38.855 -20.943 -8.775

 4 2 710.000 -13.697 -38.154 -20.173 -8.809

5 2 730.000 -13.281 -37.492 -19.452 -8.842

6 3 750.000 -12.890 -36.866 -18.775 -8.873

7 1 650.000 -15.061 -40.317 -22.742 -8.655

ADD Fe2O3(cr)
7 2 650.000 -14.975 -40.360 -22.684 -8.684

REMOVE Fe3O4(cr)
7 1 650.000 -15.058 -40.318 -22.747 -8.652

8 1 670.000 -14.587 -39.511 -21.809 -8.718

ADD Fe3O4(cr)
8 2 670.000 -15.467 -39.071 -22.468 -8.388

REMOVE Fe2O3(cr)
8 3 670.000 -14.559 -39.525 -21.864 -8.690

THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED

TEMPERATURE AND PRESSURE

CASE =

REACTANT WT FRACTION ENERGY TEMP

(SEE NOTE) CAL/MOL K
NAME CO2 0.9514748 0.000 0.000
NAME FeS2(cr) 0.0475737 0.000 0.000
NAME SO2 0.0009515 0.000 0.000

O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 1.050403 PHI,EQ.RATIO= 0.000000

THERMODYNAMIC PROPERTIES

P, ATM 44.412 44.412 44.412 44.412 44.412 44.412 54.281

54.281
T, K 650.00 670.00 690.00 710.00 730.00 750.00 650.00
670.00
RHO, G/CC 3.8487-2 3.7338-2 3.6256-2 3.5234-2 3.4269-2 3.3355-2 4.7040-2
4.5635-2
H, CAL/G -1969.18 -1964.00 -1958.77 -1953.49 -1948.17 -1942.80 -1969.18
-1964.00
U, CAL/G -1997.13 -1992.80 -1988.43 -1984.02 -1979.56 -1975.05 -1997.13
-1992.80
G, CAL/G -2700.21 -2722.79 -2745.51 -2768.39 -2791.42 -2814.60 -2694.61
-2717.01
S, CAL/(G)(K) 1.1247 1.1325 1.1402 1.1477 1.1551 1.1624 1.1160
1.1239

M, (1/n) 46.222 46.222 46.222 46.222 46.222 46.222 46.222

46.222
MW, MOL WT 45.390 45.390 45.390 45.390 45.390 45.391 45.390
45.390
(dLV/dLP)t -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
-1.00000
(dLV/dLT)p 1.0000 1.0000 1.0000 1.0001 1.0001 1.0002 1.0000
1.0000
Cp, CAL/(G)(K) 0.2580 0.2603 0.2626 0.2649 0.2672 0.2696 0.2579
0.2603
GAMMAs 1.2000 1.1978 1.1958 1.1938 1.1918 1.1899 1.2000
1.1978
SON VEL,M/SEC 374.6 380.0 385.2 390.5 395.6 400.7 374.6
380.0

MOLE FRACTIONS

*CO 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 0.00000

0.00000
COS 0.00000 0.00001 0.00001 0.00002 0.00003 0.00004 0.00000
0.00001
*CO2 0.98132 0.98132 0.98132 0.98131 0.98130 0.98127 0.98132
0.98132
SO2 0.00067 0.00068 0.00068 0.00068 0.00068 0.00069 0.00067
0.00068
FeS2(cr) 0.01800 0.01800 0.01799 0.01799 0.01798 0.01797 0.01800
0.01800
Fe3O4(cr) 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000
0.00000

* THERMODYNAMIC PROPERTIES FITTED TO 20000.K

PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS

WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS

*C CS CS2 C2S2 C3OS

C3S2 *Fe Fe(CO)5 FeO *O
*O2 O3 *S SO SO3
S2 S2O S3 S4 S5
S6 S7 S8 C(gr) Fe(a)
Fe(c) Fe(d) Fe(L) Fe(CO)5(L) Fe.947O(cr)
Fe.947O(L) FeS(a) FeS(b) FeS(c) FeS(L)
FeSO4(cr) Fe2O3(cr) Fe2(SO4)3(cr) Fe3O4(L) S(a)
S(b) S(L)

NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS

POINT ITN T C O FE S

1 2 690.000 -14.089 -38.780 -21.043 -8.725

2 2 710.000 -13.646 -38.079 -20.274 -8.759

3 2 730.000 -13.230 -37.417 -19.552 -8.792

 4 3 750.000 -12.839 -36.791 -18.875 -8.823

5 1 650.000 -15.019 -40.254 -22.825 -8.613

ADD Fe2O3(cr)
5 2 650.000 -14.807 -40.360 -22.684 -8.684

REMOVE Fe3O4(cr)
5 2 650.000 -15.013 -40.258 -22.838 -8.607

6 1 670.000 -14.541 -39.450 -21.900 -8.672

ADD Fe3O4(cr)
6 2 670.000 -15.300 -39.071 -22.468 -8.388

REMOVE Fe2O3(cr)
6 3 670.000 -14.518 -39.462 -21.948 -8.649

7 2 690.000 -14.047 -38.717 -21.126 -8.683

8 2 710.000 -13.604 -38.016 -20.357 -8.717

THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED

TEMPERATURE AND PRESSURE

CASE =

REACTANT WT FRACTION ENERGY TEMP

(SEE NOTE) CAL/MOL K
NAME CO2 0.9514748 0.000 0.000
NAME FeS2(cr) 0.0475737 0.000 0.000
NAME SO2 0.0009515 0.000 0.000

O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 1.050403 PHI,EQ.RATIO= 0.000000

THERMODYNAMIC PROPERTIES

P, ATM 54.281 54.281 54.281 54.281 64.150 64.150 64.150

64.150
T, K 690.00 710.00 730.00 750.00 650.00 670.00 690.00
710.00
RHO, G/CC 4.4313-2 4.3064-2 4.1884-2 4.0767-2 5.5592-2 5.3933-2 5.2369-2
5.0894-2
H, CAL/G -1958.77 -1953.49 -1948.17 -1942.81 -1969.18 -1964.00 -1958.77
-1953.49
U, CAL/G -1988.43 -1984.02 -1979.56 -1975.05 -1997.13 -1992.80 -1988.43
-1984.02
G, CAL/G -2739.56 -2762.27 -2785.12 -2808.13 -2689.94 -2712.19 -2734.60
-2757.17
S, CAL/(G)(K) 1.1316 1.1391 1.1465 1.1538 1.1089 1.1167 1.1244
1.1319

M, (1/n) 46.222 46.222 46.222 46.222 46.222 46.222 46.222

46.222
 MW, MOL WT 45.390 45.390 45.390 45.391 45.390 45.390 45.390
45.390
(dLV/dLP)t -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
-1.00000
(dLV/dLT)p 1.0000 1.0001 1.0001 1.0002 1.0000 1.0000 1.0000
1.0001
Cp, CAL/(G)(K) 0.2626 0.2649 0.2672 0.2695 0.2579 0.2603 0.2626
0.2649
GAMMAs 1.1958 1.1938 1.1918 1.1899 1.2000 1.1978 1.1958
1.1938
SON VEL,M/SEC 385.2 390.5 395.6 400.7 374.6 380.0 385.2
390.5

MOLE FRACTIONS

*CO 0.00000 0.00000 0.00001 0.00002 0.00000 0.00000 0.00000

0.00000
COS 0.00001 0.00002 0.00003 0.00004 0.00000 0.00001 0.00001
0.00002
*CO2 0.98132 0.98131 0.98130 0.98128 0.98132 0.98132 0.98132
0.98131
SO2 0.00068 0.00068 0.00068 0.00068 0.00067 0.00068 0.00068
0.00068
FeS2(cr) 0.01799 0.01799 0.01798 0.01797 0.01800 0.01800 0.01799
0.01799
Fe3O4(cr) 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000
0.00000

* THERMODYNAMIC PROPERTIES FITTED TO 20000.K

PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS

WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS

*C CS CS2 C2S2 C3OS

C3S2 *Fe Fe(CO)5 FeO *O
*O2 O3 *S SO SO3
S2 S2O S3 S4 S5
S6 S7 S8 C(gr) Fe(a)
Fe(c) Fe(d) Fe(L) Fe(CO)5(L) Fe.947O(cr)
Fe.947O(L) FeS(a) FeS(b) FeS(c) FeS(L)
FeSO4(cr) Fe2O3(cr) Fe2(SO4)3(cr) Fe3O4(L) S(a)
S(b) S(L)

NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS

POINT ITN T C O FE S

1 2 730.000 -13.188 -37.354 -19.635 -8.750

2 2 750.000 -12.797 -36.729 -18.958 -8.781

3 1 650.000 -14.984 -40.201 -22.897 -8.577

ADD Fe2O3(cr)
 3 2 650.000 -14.664 -40.360 -22.684 -8.684

REMOVE Fe3O4(cr)
3 2 650.000 -14.974 -40.206 -22.916 -8.568

4 1 670.000 -14.502 -39.398 -21.978 -8.633

ADD Fe3O4(cr)
4 2 670.000 -15.156 -39.071 -22.468 -8.388

REMOVE Fe2O3(cr)
4 3 670.000 -14.482 -39.408 -22.019 -8.613

5 1 690.000 -14.011 -38.664 -21.198 -8.648

6 2 710.000 -13.568 -37.962 -20.428 -8.681

7 2 730.000 -13.152 -37.301 -19.707 -8.714

8 2 750.000 -12.761 -36.675 -19.029 -8.746

THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED

TEMPERATURE AND PRESSURE

CASE =

REACTANT WT FRACTION ENERGY TEMP

(SEE NOTE) CAL/MOL K
NAME CO2 0.9514748 0.000 0.000
NAME FeS2(cr) 0.0475737 0.000 0.000
NAME SO2 0.0009515 0.000 0.000

O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 1.050403 PHI,EQ.RATIO= 0.000000

THERMODYNAMIC PROPERTIES

P, ATM 64.150 64.150 74.019 74.019 74.019 74.019 74.019

74.019
T, K 730.00 750.00 650.00 670.00 690.00 710.00 730.00
750.00
RHO, G/CC 4.9500-2 4.8179-2 6.4145-2 6.2230-2 6.0426-2 5.8724-2 5.7115-2
5.5592-2
H, CAL/G -1948.17 -1942.81 -1969.18 -1964.00 -1958.77 -1953.49 -1948.17
-1942.81
U, CAL/G -1979.56 -1975.05 -1997.13 -1992.80 -1988.44 -1984.02 -1979.56
-1975.05
G, CAL/G -2779.88 -2802.74 -2685.94 -2708.07 -2730.36 -2752.80 -2775.39
-2798.13
S, CAL/(G)(K) 1.1393 1.1466 1.1027 1.1106 1.1182 1.1258 1.1332
1.1404

M, (1/n) 46.222 46.222 46.222 46.222 46.222 46.222 46.222

46.222
MW, MOL WT 45.390 45.391 45.390 45.390 45.390 45.390 45.390
45.391
(dLV/dLP)t -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
-1.00000
(dLV/dLT)p 1.0001 1.0002 1.0000 1.0000 1.0000 1.0001 1.0001
1.0002
Cp, CAL/(G)(K) 0.2672 0.2695 0.2579 0.2603 0.2626 0.2649 0.2672
0.2695
GAMMAs 1.1918 1.1899 1.2000 1.1978 1.1958 1.1938 1.1918
1.1899
SON VEL,M/SEC 395.6 400.7 374.6 380.0 385.3 390.5 395.6
400.7

MOLE FRACTIONS

*CO 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001

0.00001
COS 0.00003 0.00004 0.00000 0.00001 0.00001 0.00002 0.00002
0.00004
*CO2 0.98130 0.98128 0.98132 0.98132 0.98132 0.98131 0.98130
0.98128
SO2 0.00068 0.00068 0.00067 0.00068 0.00068 0.00068 0.00068
0.00068
FeS2(cr) 0.01798 0.01797 0.01800 0.01800 0.01799 0.01799 0.01798
0.01797
Fe3O4(cr) 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001
0.00001

* THERMODYNAMIC PROPERTIES FITTED TO 20000.K

PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS

WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS

*C CS CS2 C2S2 C3OS

C3S2 *Fe Fe(CO)5 FeO *O
*O2 O3 *S SO SO3
S2 S2O S3 S4 S5
S6 S7 S8 C(gr) Fe(a)
Fe(c) Fe(d) Fe(L) Fe(CO)5(L) Fe.947O(cr)
Fe.947O(L) FeS(a) FeS(b) FeS(c) FeS(L)
FeSO4(cr) Fe2O3(cr) Fe2(SO4)3(cr) Fe3O4(L) S(a)
S(b) S(L)

NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS

POINT ITN T C O FE S

1 1 650.000 -14.952 -40.154 -22.959 -8.546

ADD Fe2O3(cr)
1 2 650.000 -14.539 -40.360 -22.684 -8.684

REMOVE Fe3O4(cr)
1 3 650.000 -14.940 -40.160 -22.984 -8.534
 2 1 670.000 -14.468 -39.353 -22.046 -8.599

ADD Fe3O4(cr)
2 2 670.000 -15.031 -39.071 -22.468 -8.388

REMOVE Fe2O3(cr)
2 3 670.000 -14.451 -39.361 -22.082 -8.582

3 1 690.000 -13.979 -38.617 -21.260 -8.616

4 2 710.000 -13.537 -37.916 -20.491 -8.650

5 2 730.000 -13.121 -37.254 -19.769 -8.683

6 2 750.000 -12.729 -36.629 -19.092 -8.715

7 1 650.000 -14.924 -40.112 -23.015 -8.518

ADD Fe2O3(cr)
7 2 650.000 -14.428 -40.360 -22.684 -8.684

REMOVE Fe3O4(cr)
7 3 650.000 -14.909 -40.120 -23.045 -8.503

8 1 670.000 -14.437 -39.312 -22.107 -8.569

ADD Fe3O4(cr)
8 2 670.000 -14.920 -39.071 -22.468 -8.388

REMOVE Fe2O3(cr)
8 3 670.000 -14.423 -39.320 -22.137 -8.554

THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED

TEMPERATURE AND PRESSURE

CASE =

REACTANT WT FRACTION ENERGY TEMP

(SEE NOTE) CAL/MOL K
NAME CO2 0.9514748 0.000 0.000
NAME FeS2(cr) 0.0475737 0.000 0.000
NAME SO2 0.0009515 0.000 0.000

O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 1.050403 PHI,EQ.RATIO= 0.000000

THERMODYNAMIC PROPERTIES

P, ATM 83.888 83.888 83.888 83.888 83.888 83.888 93.758

93.758
T, K 650.00 670.00 690.00 710.00 730.00 750.00 650.00
670.00
RHO, G/CC 7.2698-2 7.0527-2 6.8483-2 6.6554-2 6.4730-2 6.3004-2 8.1250-2
7.8825-2
H, CAL/G -1969.18 -1964.00 -1958.77 -1953.49 -1948.17 -1942.81 -1969.18
-1964.00
U, CAL/G -1997.13 -1992.80 -1988.44 -1984.02 -1979.56 -1975.05 -1997.13
-1992.80
G, CAL/G -2682.44 -2704.47 -2726.65 -2748.98 -2771.46 -2794.09 -2679.33
-2701.26
S, CAL/(G)(K) 1.0973 1.1052 1.1129 1.1204 1.1278 1.1350 1.0925
1.1004

M, (1/n) 46.222 46.222 46.222 46.222 46.222 46.222 46.222

46.222
MW, MOL WT 45.390 45.390 45.390 45.390 45.390 45.391 45.390
45.390
(dLV/dLP)t -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
-1.00000
(dLV/dLT)p 1.0000 1.0000 1.0000 1.0001 1.0001 1.0002 1.0000
1.0000
Cp, CAL/(G)(K) 0.2579 0.2603 0.2626 0.2649 0.2671 0.2694 0.2579
0.2603
GAMMAs 1.2000 1.1978 1.1958 1.1938 1.1919 1.1900 1.2000
1.1979
SON VEL,M/SEC 374.6 380.0 385.3 390.5 395.6 400.7 374.6
380.0

MOLE FRACTIONS

*CO 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000

0.00000
COS 0.00000 0.00001 0.00001 0.00001 0.00002 0.00004 0.00000
0.00001
*CO2 0.98132 0.98132 0.98132 0.98131 0.98130 0.98128 0.98132
0.98132
SO2 0.00067 0.00068 0.00068 0.00068 0.00068 0.00068 0.00067
0.00068
FeS2(cr) 0.01800 0.01800 0.01799 0.01799 0.01798 0.01797 0.01800
0.01800
Fe3O4(cr) 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000
0.00000

* THERMODYNAMIC PROPERTIES FITTED TO 20000.K

PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS

WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS

*C CS CS2 C2S2 C3OS

C3S2 *Fe Fe(CO)5 FeO *O
*O2 O3 *S SO SO3
S2 S2O S3 S4 S5
S6 S7 S8 C(gr) Fe(a)
Fe(c) Fe(d) Fe(L) Fe(CO)5(L) Fe.947O(cr)
Fe.947O(L) FeS(a) FeS(b) FeS(c) FeS(L)
FeSO4(cr) Fe2O3(cr) Fe2(SO4)3(cr) Fe3O4(L) S(a)
S(b) S(L)

NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS
POINT ITN T C O FE S

1 1 690.000 -13.951 -38.575 -21.316 -8.589

2 2 710.000 -13.509 -37.874 -20.547 -8.622

3 2 730.000 -13.093 -37.212 -19.825 -8.655

4 2 750.000 -12.701 -36.587 -19.147 -8.687

THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED

TEMPERATURE AND PRESSURE

CASE =

REACTANT WT FRACTION ENERGY TEMP

(SEE NOTE) CAL/MOL K
NAME CO2 0.9514748 0.000 0.000
NAME FeS2(cr) 0.0475737 0.000 0.000
NAME SO2 0.0009515 0.000 0.000

O/F= 0.00000 %FUEL= 0.000000 R,EQ.RATIO= 1.050403 PHI,EQ.RATIO= 0.000000

THERMODYNAMIC PROPERTIES

P, ATM 93.758 93.758 93.758 93.758

T, K 690.00 710.00 730.00 750.00
RHO, G/CC 7.6540-2 7.4384-2 7.2346-2 7.0416-2
H, CAL/G -1958.77 -1953.49 -1948.17 -1942.81
U, CAL/G -1988.44 -1984.02 -1979.56 -1975.05
G, CAL/G -2723.35 -2745.58 -2767.97 -2790.50
S, CAL/(G)(K) 1.1081 1.1156 1.1230 1.1303

M, (1/n) 46.222 46.222 46.222 46.222

MW, MOL WT 45.390 45.390 45.390 45.391
(dLV/dLP)t -1.00000 -1.00000 -1.00000 -1.00000
(dLV/dLT)p 1.0000 1.0001 1.0001 1.0002
Cp, CAL/(G)(K) 0.2626 0.2649 0.2671 0.2694
GAMMAs 1.1958 1.1938 1.1919 1.1900
SON VEL,M/SEC 385.3 390.5 395.6 400.7

MOLE FRACTIONS

*CO 0.00000 0.00000 0.00001 0.00001

COS 0.00001 0.00001 0.00002 0.00004
*CO2 0.98132 0.98131 0.98130 0.98128
SO2 0.00068 0.00068 0.00068 0.00068
FeS2(cr) 0.01799 0.01799 0.01798 0.01797
Fe3O4(cr) 0.00000 0.00000 0.00001 0.00001

* THERMODYNAMIC PROPERTIES FITTED TO 20000.K

PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS

 WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONS

*C CS CS2 C2S2 C3OS

C3S2 *Fe Fe(CO)5 FeO *O
*O2 O3 *S SO SO3
S2 S2O S3 S4 S5
S6 S7 S8 C(gr) Fe(a)
Fe(c) Fe(d) Fe(L) Fe(CO)5(L) Fe.947O(cr)
Fe.947O(L) FeS(a) FeS(b) FeS(c) FeS(L)
FeSO4(cr) Fe2O3(cr) Fe2(SO4)3(cr) Fe3O4(L) S(a)
S(b) S(L)

NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS