******************************************************************************* 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 case=c3h6-air hp p(atm)=1 phi,eq.ratio=1 reac fuel= C3H6,propylene wt%=100 t(k)= 298.15 oxid= Air wt%=100 t(k)= 298.15 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=F 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 = 1.013250 REACTANT WT.FRAC (ENERGY/R),K TEMP,K DENSITY EXPLODED FORMULA F: C3H6,propylene 1.000000 0.240543E+04 298.15 0.0000 C 3.00000 H 6.00000 O: Air 1.000000 -0.150977E+02 298.15 0.0000 N 1.56168 O 0.41959 AR 0.00937 C 0.00032 SPECIES BEING CONSIDERED IN THIS SYSTEM (CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES) LAST thermo.inp UPDATE: 9/09/04 g 3/98 *Ar g 7/97 *C tpis79 *CH g 4/02 CH2 g 4/02 CH3 g11/00 CH2OH g 7/00 CH3O g 8/99 CH4 g 7/00 CH3OH srd 01 CH3OOH g 8/99 *CN g12/99 CNN tpis79 *CO g 9/99 *CO2 tpis91 COOH tpis91 *C2 g 6/01 C2H g 1/91 C2H2,acetylene g 5/01 C2H2,vinylidene g 4/02 CH2CO,ketene g 3/02 O(CH)2O srd 01 HO(CO)2OH g 7/01 C2H3,vinyl g 9/00 CH3CN g 6/96 CH3CO,acetyl g 1/00 C2H4 g 8/88 C2H4O,ethylen-o g 8/88 CH3CHO,ethanal g 6/00 CH3COOH srd 01 OHCH2COOH g 7/00 C2H5 g 7/00 C2H6 g 8/88 CH3N2CH3 g 8/88 C2H5OH g 7/00 CH3OCH3 srd 01 CH3O2CH3 g 7/00 CCN tpis91 CNC srd 01 OCCN tpis79 C2N2 g 8/00 C2O tpis79 *C3 n 4/98 C3H3,1-propynl n 4/98 C3H3,2-propynl g 2/00 C3H4,allene g 1/00 C3H4,propyne g 5/90 C3H4,cyclo- g 3/01 C3H5,allyl g 2/00 C3H6,propylene g 1/00 C3H6,cyclo- g 6/01 C3H6O,propylox g 6/97 C3H6O,acetone g 1/02 C3H6O,propanal g 7/01 C3H7,n-propyl g 9/85 C3H7,i-propyl g 2/00 C3H8 g 2/00 C3H8O,1propanol g 2/00 C3H8O,2propanol srd 01 CNCOCN g 7/88 C3O2 g tpis *C4 g 7/01 C4H2,butadiyne g 8/00 C4H4,1,3-cyclo- n10/92 C4H6,butadiene n10/93 C4H6,1butyne n10/93 C4H6,2butyne g 8/00 C4H6,cyclo- n 4/88 C4H8,1-butene n 4/88 C4H8,cis2-buten n 4/88 C4H8,tr2-butene n 4/88 C4H8,isobutene g 8/00 C4H8,cyclo- g10/00 (CH3COOH)2 n10/84 C4H9,n-butyl n10/84 C4H9,i-butyl g 1/93 C4H9,s-butyl g 1/93 C4H9,t-butyl g12/00 C4H10,n-butane g 8/00 C4H10,isobutane g 6/01 C4N2 g 8/00 *C5 g 5/90 C5H6,1,3cyclo- g 1/93 C5H8,cyclo- n 4/87 C5H10,1-pentene g 2/01 C5H10,cyclo- n10/84 C5H11,pentyl g 1/93 C5H11,t-pentyl n10/85 C5H12,n-pentane n10/85 C5H12,i-pentane n10/85 CH3C(CH3)2CH3 g 2/93 C6H2 g11/00 C6H5,phenyl g 8/00 C6H5O,phenoxy g 8/00 C6H6 g 8/00 C6H5OH,phenol g 1/93 C6H10,cyclo- n 4/87 C6H12,1-hexene g 6/90 C6H12,cyclo- n10/83 C6H13,n-hexyl g 6/01 C6H14,n-hexane g 7/01 C7H7,benzyl g 1/93 C7H8 g12/00 C7H8O,cresol-mx n 4/87 C7H14,1-heptene n10/83 C7H15,n-heptyl n10/85 C7H16,n-heptane n10/85 C7H16,2-methylh n 4/89 C8H8,styrene n10/86 C8H10,ethylbenz n 4/87 C8H16,1-octene n10/83 C8H17,n-octyl n 4/85 C8H18,n-octane n 4/85 C8H18,isooctane n10/83 C9H19,n-nonyl g 3/01 C10H8,naphthale n10/83 C10H21,n-decyl g 8/00 C12H9,o-bipheny g 8/00 C12H10,biphenyl g 6/97 *H g 6/01 HCN g 1/01 HCO tpis89 HCCN g 6/01 HCCO g 6/01 HNC g 7/00 HNCO g10/01 HNO tpis89 HNO2 g 5/99 HNO3 g 4/02 HO2 tpis78 *H2 g 5/01 HCHO,formaldehy g 6/01 HCOOH g 8/89 H2O g 6/99 H2O2 g 6/01 (HCOOH)2 g 5/97 *N g 6/01 NCO g 4/99 *NH g 3/01 NH2 tpis89 NH3 tpis89 NH2OH tpis89 *NO g 4/99 NO2 j12/64 NO3 tpis78 *N2 g 6/01 NCN g 5/99 N2H2 tpis89 NH2NO2 g 4/99 N2H4 g 4/99 N2O g 4/99 N2O3 tpis89 N2O4 g 4/99 N2O5 tpis89 N3 g 4/99 N3H g 5/97 *O g 4/02 *OH tpis89 *O2 g 8/01 O3 n 4/83 C(gr) n 4/83 C(gr) n 4/83 C(gr) g11/99 H2O(cr) g 8/01 H2O(L) g 8/01 H2O(L) O/F = 14.787013 EFFECTIVE FUEL EFFECTIVE OXIDANT MIXTURE ENTHALPY h(2)/R h(1)/R h0/R (KG-MOL)(K)/KG 0.57163694E+02 -0.52123615E+00 0.31327121E+01 KG-FORM.WT./KG bi(2) bi(1) b0i *C 0.71293216E-01 0.11013248E-04 0.45262563E-02 *H 0.14258643E+00 0.00000000E+00 0.90318814E-02 *N 0.00000000E+00 0.53915890E-01 0.50500685E-01 *O 0.00000000E+00 0.14486046E-01 0.13568453E-01 *Ar 0.00000000E+00 0.32331996E-03 0.30283983E-03 POINT ITN T C H N O AR 1 27 2332.684 -20.876 -12.819 -13.894 -17.080 -26.324 THERMODYNAMIC EQUILIBRIUM COMBUSTION PROPERTIES AT ASSIGNED PRESSURES CASE = c3h6-air REACTANT WT FRACTION ENERGY TEMP (SEE NOTE) KJ/KG-MOL K FUEL C3H6,propylene 1.0000000 20000.000 298.150 OXIDANT Air 1.0000000 -125.530 298.150 O/F= 14.78701 %FUEL= 6.334320 R,EQ.RATIO= 1.000000 PHI,EQ.RATIO= 1.000000 THERMODYNAMIC PROPERTIES P, BAR 1.0132 T, K 2332.68 RHO, KG/CU M 1.4913-1 H, KJ/KG 26.047 U, KJ/KG -653.41 G, KJ/KG -22336.7 S, KJ/(KG)(K) 9.5867 M, (1/n) 28.545 (dLV/dLP)t -1.00405 (dLV/dLT)p 1.1160 Cp, KJ/(KG)(K) 2.4353 GAMMAs 1.1695 SON VEL,M/SEC 891.4 MOLE FRACTIONS *Ar 0.00864 *CO 0.01776 *CO2 0.11144 *H 0.00067 *H2 0.00344 H2O 0.12291 *NO 0.00310 *N2 0.71922 *O 0.00053 *OH 0.00446 *O2 0.00784 * 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 CH3OOH *CN CNN COOH *C2 C2H C2H2,acetylene C2H2,vinylidene CH2CO,ketene O(CH)2O HO(CO)2OH C2H3,vinyl CH3CN CH3CO,acetyl C2H4 C2H4O,ethylen-o CH3CHO,ethanal CH3COOH OHCH2COOH C2H5 C2H6 CH3N2CH3 C2H5OH CH3OCH3 CH3O2CH3 CCN CNC OCCN C2N2 C2O *C3 C3H3,1-propynl C3H3,2-propynl C3H4,allene C3H4,propyne C3H4,cyclo- C3H5,allyl C3H6,propylene C3H6,cyclo- C3H6O,propylox C3H6O,acetone C3H6O,propanal C3H7,n-propyl C3H7,i-propyl C3H8 C3H8O,1propanol C3H8O,2propanol CNCOCN C3O2 *C4 C4H2,butadiyne C4H4,1,3-cyclo- C4H6,butadiene C4H6,1butyne C4H6,2butyne 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,n-butane C4H10,isobutane 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,n-heptane C7H16,2-methylh 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 HCCO 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(cr) H2O(L) NOTE. WEIGHT FRACTION OF FUEL IN TOTAL FUELS AND OF OXIDANT IN TOTAL OXIDANTS