NASA Chemical Equilibrium Code
Computer Program for Calculation of Complex Chemical EquilibriumReturn to Combustion home page
Compositions, Rocket Performance, Incident and Reflected Shocks,
and Chapman-Jouget DetonationsSanford Gordon and Bonnie McBrideThe executable and required data files are on the open area, public1, on galaxy under the directory:
NASA Glenn Research Center
21000 Brookpark Rd.
Cleveland, OH 44135References:
NASA SP-273, 1971
NASA RP-1311, PART I, 1994
NASA RP-1311, PART II, 1996public1/marchese/NASA CEC Program
The executable is called cea300.exe.
Just click on the executable and it will open up a .dos shell. The program will prompt you for an input data file. Type in the file name, without an extention. The program will generate an output file name called <filename.out>.
Examples:
1. Temperature-Pressure Problem: Input
An example input data file (tp.inp). This file asks the program to calculate the equilibrium mole fractions at a given pressure (14.7 psia) and various temperatures (1000 to 4000 K) for initial conditions of 1 mole each of methane (CH4) and gaseous oxygen (O2).problem tp equilibriumDownload TP example tp.inp
case=8 p,psia=14.7 t(k)=1000,2000.0,3000.0,4000.0
reactants
fuel = CH4 moles=1
oxid = O2 moles=1
output siunits
endTemperature-Pressure Problem: Output
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NASA-LEWIS CHEMICAL EQUILIBRIUM PROGRAM CEA, APR. 28, 1997
BY BONNIE MCBRIDE AND SANFORD GORDON
REFS: NASA RP-1311, PART I, 1994 AND NASA RP-1311, PART II, 1996*******************************************************************************
problem tp equilibrium
case=8 p,psia=14.7 t(k)=1000,2000.0,3000.0,4000.0
reactants
fuel = CH4 moles=1
oxid = O2 moles=1
output siunits
endOPTIONS: 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=T IONS=F SIUNIT=T DEBUGF=F SHKDBG=F DETDBG=F TRNSPT=FT,K = 1000.0000 2000.0000 3000.0000 4000.0000
TRACE= 0.00E+00 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00
P,BAR = 1.013525
REACTANT MOLES (ENERGY/R),K TEMP,K DENSITY
EXPLODED FORMULA
F: CH4 1.000000 .000000E+00 .00 .0000
C 1.00000 H 4.00000
O: O2 1.000000 .000000E+00 .00 .0000
O 2.00000SPECIES BEING CONSIDERED IN THIS SYSTEM
(CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES)l 1/97 *C tpis79 *CH l11/89 CH2
l11/89 CH3 l12/92 CH2OH l10/92 CH3O
l 8/88 CH4 l 8/88 CH3OH tpis79 *CO
l 7/88 *CO2 tpis91 COOH tpis91 *C2
l 1/91 C2H l 6/89 CHCO,ketyl l12/89 C2H2,vinylidene
l 1/91 C2H2,acetylene l 5/90 CH2CO,ketene l 2/92 C2H3,vinyl
l 6/96 CH3CO,acetyl l 1/91 C2H4 l 8/88 C2H4O,ethylen-o
l 8/88 CH3CHO,ethanal l 8/88 CH3COOH l12/92 C2H5
l 8/88 C2H6 l 8/88 C2H5OH l12/92 CH3OCH3
l12/89 C2O tpis79 *C3 bur 92 C3H3,propargyl
l12/92 C3H4,allene l12/92 C3H4,propyne l 5/90 C3H4,cyclo-
bur 92 C3H5,allyl l 2/95 C3H6,propylene l 1/93 C3H6,cyclo-
l 6/90 C3H6O l 6/90 C3H7,n-propyl l 9/85 C3H7,i-propyl
l 6/90 C3H8 l 9/88 C3H8O,1propanol l 9/88 C3H8O,2propanol
l 7/88 C3O2 l 7/88 C4 l 2/93 C4H2
l 5/90 C4H4,1,3-cyclo- x10/92 C4H6,butadiene x10/93 C4H6,1-butyne
x10/93 C4H6,2-butyne l 5/90 C4H6,cyclo- x 4/88 C4H8,1-butene
x 4/88 C4H8,cis2-buten x 4/88 C4H8,tr2-butene x 4/88 C4H8,isobutene
l 5/90 C4H8,cyclo- l 6/90 (CH3COOH)2 x10/84 C4H9,n-butyl
x10/84 C4H9,i-butyl l 1/93 C4H9,s-butyl l 1/93 C4H9,t-butyl
l 6/90 C4H10,isobutane l 6/90 C4H10,n-butane l 7/88 C5
l 5/90 C5H6,1,3cyclo- l 1/93 C5H8,cyclo- x 4/87 C5H10,1-pentene
l 6/90 C5H10,cyclo- x10/84 C5H11,pentyl l 1/93 C5H11,t-pentyl
x10/85 C5H12,n-pentane x10/85 C5H12,i-pentane x10/85 CH3C(CH3)2CH3
l 2/93 C6H2 l 1/91 C6H5,phenyl l 6/90 C6H5O,phenoxy
l 1/91 C6H6 l 6/90 C6H5OH,phenol l 1/93 C6H10,cyclo-
x 4/87 C6H12,1-hexene l 6/90 C6H12,cyclo- x10/83 C6H13,n-hexyl
l 6/96 C6H14,n-hexane l 1/93 C7H7,benzyl l 1/93 C7H8
l 1/93 C7H8O,cresol-mx x 4/87 C7H14,1-heptene x10/83 C7H15,n-heptyl
x10/85 C7H16,2-methylh x10/85 C7H16,n-heptane x 4/89 C8H8,styrene
x10/86 C8H10,ethylbenz x 4/87 C8H16,1-octene x10/83 C8H17,n-octyl
x 4/85 C8H18,n-octane x 4/85 C8H18,isooctane x10/83 C9H19,n-nonyl
l 8/93 C10H8,naphthale x10/83 C10H21,n-decyl l12/84 C12H9,o-bipheny
l12/84 C12H10,biphenyl l 9/96 *H l 9/96 HCO
l 5/89 HO2 tpis78 *H2 l 8/88 HCHO,formaldehy
l 8/88 HCOOH l 8/89 H2O l 2/93 H2O2
l 8/88 (HCOOH)2 l 1/97 *O tpis78 *OH
tpis89 *O2 l 5/90 O3 x 4/83 C(gr)
x 4/83 C(gr) x 4/83 C(gr) l 8/89 H2O(s)
l 8/89 H2O(L)O/F = 1.994594
EFFECTIVE FUEL EFFECTIVE OXIDANT MIXTURE
ENTHALPY h(2)/R h(1)/R h0/R
(KG-MOL)(K)/KG .00000000E+00 .00000000E+00 .00000000E+00KG-FORM.WT./KG bi(2) bi(1) b0i
*C .62333414E-01 .00000000E+00 .20815311E-01
*H .24933366E+00 .00000000E+00 .83261243E-01
*O .00000000E+00 .62502344E-01 .41630621E-01POINT ITN T C H O
1 18 1000.000 -3.255 -9.138 -37.231
2 6 2000.000 -12.770 -10.216 -22.818
3 8 3000.000 -16.363 -10.989 -18.477
4 7 4000.000 -16.995 -12.079 -18.216
THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED
TEMPERATURE AND PRESSURE
CASE = 8
REACTANT MOLES ENERGY TEMP
KJ/KG-MOL K
FUEL CH4 1.0000000 .000 .000
OXIDANT O2 1.0000000 .000 .000O/F= 1.99459 %FUEL= 33.393503 R,EQ.RATIO= 2.000000 PHI,EQ.RATIO= 2.000000
THERMODYNAMIC PROPERTIES
P, BAR 1.0135 1.0135 1.0135 1.0135
T, K 1000.00 2000.00 3000.00 4000.00
RHO, KG/CU M 1.9660-1 9.7551-2 6.1090-2 2.8999-2
H, KJ/KG -6244.31 -3593.41 1050.24 22522.4
U, KJ/KG -6759.83 -4632.38 -608.82 19027.3
G, KJ/KG -19776.0 -34361.4 -50506.2 -70435.2
S, KJ/(KG)(K) 13.5317 15.3840 17.1855 23.2394M, (1/n) 16.129 16.005 15.035 9.516
(dLV/dLP)t -1.01321 -1.00027 -1.03275 -1.11256
(dLV/dLT)p 1.1878 1.0074 1.6395 2.5972
Cp, KJ/(KG)(K) 4.0942 2.7153 9.7229 22.7553
GAMMAs 1.1968 1.2405 1.1365 1.1716
SON VEL,M/SEC 785.5 1135.3 1373.2 2023.6MOLE FRACTIONS
CH4 .00358 .00000 .00000 .00000
*CO .20080 .28609 .28253 .19483
*CO2 .13134 .04707 .03042 .00324
*H .00000 .00100 .08849 .51030
HO2 .00000 .00000 .00000 .00001
*H2 .45632 .37976 .31728 .10359
H2O .20796 .28601 .25271 .01535
*O .00000 .00000 .00398 .12179
*OH .00000 .00007 .02334 .04409
*O2 .00000 .00000 .00125 .00679* 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 *CH CH2 CH3 CH2OH
CH3O CH3OH COOH *C2 C2H
CHCO,ketyl C2H2,vinylidene C2H2,acetylene CH2CO,ketene C2H3,vinyl
CH3CO,acetyl C2H4 C2H4O,ethylen-o CH3CHO,ethanal CH3COOH
C2H5 C2H6 C2H5OH CH3OCH3 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 C4H6,1-butyne
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 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 C6H14,n-hexane C7H7,benzyl
C7H8 C7H8O,cresol-mx C7H14,1-heptene C7H15,n-heptyl C7H16,2-methylh
C7H16,n-heptane C8H8,styrene C8H10,ethylbenz C8H16,1-octene C8H17,n-octyl
C8H18,n-octane C8H18,isooctane C9H19,n-nonyl C10H8,naphthale C10H21,n-decyl
C12H9,o-bipheny C12H10,biphenyl HCO HCHO,formaldehy HCOOH
H2O2 (HCOOH)2 O3 C(gr) H2O(s)
H2O(L)2. Rocket Propulsion Problem: Input
An example input data file (rocket.inp). This file asks the program to calculate the equilibrium mole fractions of all products and chamber temperature for a given chamber pressure (1000 psia) and various oxidizer to fuel ratios (O/F) of liquid oxygen and liquid hydrogen. Nozzle properties and performance parameters (Isp) are printed out for various Ae/At from 25 to 100.problem rocket equilibrium o/f=3,4,5.55157,6,7
case=8 p,psia=1000 supar=25,50,75,100
reactants
fuel = H2(L) wt% 100. t(k) 20.27
oxid = O2(L) wt% 100. t(k) 90.17
output siunits
endRocket Propulsion Problem: Output
Note: There is an error in the output. Isp is actually Isp*g. You must divide the output Isp by 9.8 m/s2.THEORETICAL ROCKET PERFORMANCE ASSUMING EQUILIBRIUM
COMPOSITION DURING EXPANSION FROM INFINITE AREA COMBUSTOR
Pinj = 1000.0 PSIA
CASE = 8REACTANT WT FRACTION ENERGY TEMP
(SEE NOTE) KJ/KG-MOL K
FUEL H2(L) 1.0000000 -9012.000 20.270
OXIDANT O2(L) 1.0000000 -12979.000 90.170O/F= 5.55157 %FUEL= 15.263517 R,EQ.RATIO= 1.429629 PHI,EQ.RATIO= 1.429628
CHAMBER THROAT EXIT EXIT EXIT EXIT
Pinf/P 1.0000 1.7408 261.99 658.99 1130.55 1659.19
P, BAR 68.947 39.606 .26317 .10463 .06099 .04155
T, K 3413.86 3208.89 1462.78 1214.88 1084.26 997.76
RHO, KG/CU M 3.0979 0 1.9113 0 2.8578-2 1.3680-2 8.9344-3 6.6156-3
H, KJ/KG -1026.05 -2216.92 -9548.82 -10324.7 -10715.1 -10966.4
U, KJ/KG -3251.69 -4289.12 -10469.7 -11089.5 -11397.6 -11594.5
G, KJ/KG -64145.6 -61546.7 -36594.4 -32786.8 -30762.2 -29414.2
S, KJ/(KG)(K) 18.4892 18.4892 18.4892 18.4892 18.4892 18.4892M, (1/n) 12.753 12.875 13.207 13.207 13.207 13.207
(dLV/dLP)t -1.01861 -1.01347 -1.00000 -1.00000 -1.00000 -1.00000
(dLV/dLT)p 1.3362 1.2580 1.0001 1.0000 1.0000 1.0000
Cp, KJ/(KG)(K) 7.9371 7.1259 3.2192 3.0384 2.9383 2.8724
GAMMAs 1.1468 1.1494 1.2432 1.2613 1.2727 1.2807
SON VEL,M/SEC 1597.6 1543.3 1070.0 982.2 932.1 896.9
MACH NUMBER .000 1.000 3.859 4.391 4.723 4.971PERFORMANCE PARAMETERS
Ae/At 1.0000 25.000 50.000 75.000 100.00
CSTAR, M/SEC 2337.4 2337.4 2337.4 2337.4 2337.4
CF .6602 1.7663 1.8450 1.8833 1.9075
Ivac, M/SEC 2886.0 4351.7 4489.8 4557.1 4599.6
Isp, M/SEC 1543.3 4128.6 4312.5 4402.0 4458.8
MOLE FRACTIONS
*H .03164 .02484 .00001 .00000 .00000 .00000
HO2 .00002 .00001 .00000 .00000 .00000 .00000
*H2 .29452 .29420 .30051 .30052 .30052 .30052
H2O .64026 .65756 .69948 .69948 .69948 .69948
H2O2 .00001 .00000 .00000 .00000 .00000 .00000
*O .00189 .00108 .00000 .00000 .00000 .00000
*OH .03008 .02137 .00000 .00000 .00000 .00000
*O2 .00159 .00094 .00000 .00000 .00000 .00000* THERMODYNAMIC PROPERTIES FITTED TO 20000.K
PRODUCTS WHICH WERE CONSIDERED BUT WHOSE MOLE FRACTIONS
WERE LESS THAN 5.000000E-06 FOR ALL ASSIGNED CONDITIONSO3 H2O(s) H2O(L)
NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS