******************************************************************************* 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 hp equilibrium case=8 p,psia=14.7 reactants fuel = CH4 moles=1 t(k)=298 oxid = O2 moles=2 t(k)=298 oxid = N2 moles=7.52 t(k)=298 output siunits end OPTIONS: TP=F HP=T 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=F 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 -.897291E+04 298.00 .0000 C 1.00000 H 4.00000 O: O2 2.000000 -.530002E+00 298.00 .0000 O 2.00000 O: N2 7.520000 -.525421E+00 298.00 .0000 N 2.00000 SPECIES 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 l 3/96 *CN l12/89 CNN 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 l12/92 CH3CN 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 CH3N2CH3 l 8/88 C2H5OH l12/92 CH3OCH3 l12/92 CCN tpis91 CNC tpis79 C2N2 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 j 3/61 C4N2 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 7/88 HCN l 9/96 HCO tpis89 HCCN l11/92 HNC l 2/96 HNCO l12/89 HNO tpis89 HNO2 l 4/90 HNO3 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 *N l 2/96 NCO l11/89 *NH l12/89 NH2 tpis89 NH3 tpis89 NH2OH tpis89 *NO l 7/88 NO2 j12/64 NO3 tpis78 *N2 l12/89 NCN l 5/90 N2H2 tpis89 NH2NO2 l 5/90 N2H4 l 7/88 N2O l 4/90 N2O3 tpis89 N2O4 l 4/90 N2O5 tpis89 N3 l 7/88 N3H 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 = 17.120431 EFFECTIVE FUEL EFFECTIVE OXIDANT MIXTURE ENTHALPY h(2)/R h(1)/R h0/R (KG-MOL)(K)/KG -.55931213E+03 -.18245068E-01 -.30883619E+02 KG-FORM.WT./KG bi(2) bi(1) b0i *C .62333414E-01 .00000000E+00 .34399520E-02 *H .24933366E+00 .00000000E+00 .13759808E-01 *O .00000000E+00 .14563515E-01 .13759808E-01 *N .00000000E+00 .54758816E-01 .51736878E-01 POINT ITN T C H O N 1 27 2224.925 -21.493 -12.721 -17.261 -13.819 THERMODYNAMIC EQUILIBRIUM COMBUSTION PROPERTIES AT ASSIGNED PRESSURES CASE = 8 REACTANT MOLES ENERGY TEMP KJ/KG-MOL K FUEL CH4 1.0000000 -74605.352 298.000 OXIDANT O2 2.0000000 -4.407 298.000 OXIDANT N2 7.5200000 -4.369 298.000 O/F= 17.12043 %FUEL= 5.518632 R,EQ.RATIO= 1.000000 PHI,EQ.RATIO= 1.000000 THERMODYNAMIC PROPERTIES P, BAR 1.0135 T, K 2224.93 RHO, KG/CU M 1.5028-1 H, KJ/KG -256.78 U, KJ/KG -931.20 G, KJ/KG -22225.2 S, KJ/(KG)(K) 9.8738 M, (1/n) 27.430 (dLV/dLP)t -1.00243 (dLV/dLT)p 1.0728 Cp, KJ/(KG)(K) 2.1917 GAMMAs 1.1859 SON VEL,M/SEC 894.3 MOLE FRACTIONS *CO .00892 *CO2 .08544 *H .00039 *H2 .00358 H2O .18352 *NO .00187 *N2 .70863 *O .00021 *OH .00285 *O2 .00459 * 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 CH4 CH3OH *CN CNN COOH *C2 C2H CHCO,ketyl C2H2,vinylidene C2H2,acetylene CH2CO,ketene C2H3,vinyl CH3CN CH3CO,acetyl C2H4 C2H4O,ethylen-o CH3CHO,ethanal CH3COOH C2H5 C2H6 CH3N2CH3 C2H5OH CH3OCH3 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 C4H6,1-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 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 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 HCN HCO HCCN HNC HNCO HNO HNO2 HNO3 HO2 HCHO,formaldehy HCOOH H2O2 (HCOOH)2 *N NCO *NH NH2 NH3 NH2OH NO2 NO3 NCN N2H2 NH2NO2 N2H4 N2O N2O3 N2O4 N2O5 N3 N3H O3 C(gr) H2O(s) H2O(L)