Calcolo di eq.io chimico iso T, isoP – Etanolo in O2 File dati input: problem tp t,c=500,600,1000, p,bar=1, react fuel=C2H5OH moles=1 t,c=20 oxid=O2 moles=2 t,c=20 end File dati output: ******************************************************************************* 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,c=500,600,1000, p,bar=1, react fuel=C2H5OH moles=1 t,c=20 oxid=O2 moles=2 t,c=20 end OPTIONS: TP=T RKT=F FROZ=F T,K = HP=F SP=F TV=F UV=F SV=F DETN=F SHOCK=F REFL=F EQL=F IONS=F SIUNIT=T DEBUGF=F SHKDBG=F DETDBG=F 773.1500 TRACE= 0.00E+00 P,BAR = 873.1500 INCD=F TRNSPT=F 1273.1500 S/R= 0.000000E+00 H/R= 0.000000E+00 U/R= 0.000000E+00 1.000000 REACTANT MOLES (ENERGY/R),K EXPLODED FORMULA F: C2H5OH 1.000000 -0.282969E+05 C 2.00000 H 6.00000 O 1.00000 O: O2 2.000000 -0.176597E+02 O 2.00000 TEMP,K DENSITY 293.15 0.0000 293.15 0.0000 SPECIES BEING CONSIDERED IN THIS SYSTEM (CONDENSED PHASE MAY HAVE NAME LISTED SEVERAL TIMES) LAST thermo.inp UPDATE: 9/09/04 g 7/97 g 4/02 g 8/99 tpis79 tpis91 g 5/01 srd 01 g 1/00 g 6/00 g 7/00 srd 01 n 4/98 g 1/00 g 2/00 g 6/97 g 9/85 g 2/00 g 7/01 n10/93 n 4/88 n 4/88 n10/84 g 1/93 g 8/00 n 4/87 g 1/93 n10/85 g 8/00 g 1/93 n10/83 g 1/93 n10/83 n 4/89 n10/83 n10/83 g 8/00 g 1/01 tpis78 g 8/89 g 5/97 g 8/01 n 4/83 g 8/01 O/F = *C CH3 CH4 *CO *C2 C2H2,vinylidene HO(CO)2OH C2H4 CH3COOH C2H6 CH3O2CH3 C3H3,1-propynl C3H4,propyne C3H6,propylene C3H6O,acetone C3H7,i-propyl C3H8O,2propanol C4H2,butadiyne C4H6,1butyne C4H8,1-butene C4H8,isobutene C4H9,n-butyl C4H9,t-butyl *C5 C5H10,1-pentene C5H11,t-pentyl CH3C(CH3)2CH3 C6H5O,phenoxy C6H10,cycloC6H13,n-hexyl C7H8 C7H15,n-heptyl C8H8,styrene C8H17,n-octyl C9H19,n-nonyl C12H9,o-bipheny HCO *H2 H2O *O O3 C(gr) H2O(L) tpis79 g11/00 g 7/00 g 9/99 g 6/01 g 4/02 g 7/01 g 8/88 srd 01 g 8/88 g 8/00 n 4/98 g 5/90 g 1/00 g 1/02 g 2/00 g 7/88 g 8/00 n10/93 n 4/88 g 8/00 n10/84 g12/00 g 5/90 g 2/01 n10/85 g 2/93 g 8/00 n 4/87 g 6/01 g12/00 n10/85 n10/86 n 4/85 g 3/01 g 8/00 g 6/01 g 5/01 g 6/99 g 4/02 n 4/83 g11/99 *CH CH2OH CH3OH *CO2 C2H CH2CO,ketene C2H3,vinyl C2H4O,ethylen-o OHCH2COOH C2H5OH C2O C3H3,2-propynl C3H4,cycloC3H6,cycloC3H6O,propanal C3H8 C3O2 C4H4,1,3-cycloC4H6,2butyne C4H8,cis2-buten C4H8,cycloC4H9,i-butyl C4H10,n-butane C5H6,1,3cycloC5H10,cycloC5H12,n-pentane C6H2 C6H6 C6H12,1-hexene C6H14,n-hexane C7H8O,cresol-mx C7H16,n-heptane C8H10,ethylbenz C8H18,n-octane C10H8,naphthale C12H10,biphenyl HCCO HCHO,formaldehy H2O2 *OH C(gr) H2O(cr) g 4/02 g 7/00 srd 01 tpis91 g 1/91 g 3/02 g 6/96 g 8/88 g 7/00 g 7/00 tpis79 g 2/00 g 3/01 g 6/01 g 7/01 g 2/00 g tpis n10/92 g 8/00 n 4/88 g10/00 g 1/93 g 8/00 g 1/93 n10/84 n10/85 g11/00 g 8/00 g 6/90 g 7/01 n 4/87 n10/85 n 4/87 n 4/85 n10/83 g 6/97 g 4/02 g 6/01 g 6/01 tpis89 n 4/83 g 8/01 CH2 CH3O CH3OOH COOH C2H2,acetylene O(CH)2O CH3CO,acetyl CH3CHO,ethanal C2H5 CH3OCH3 *C3 C3H4,allene C3H5,allyl C3H6O,propylox C3H7,n-propyl C3H8O,1propanol *C4 C4H6,butadiene C4H6,cycloC4H8,tr2-butene (CH3COOH)2 C4H9,s-butyl C4H10,isobutane C5H8,cycloC5H11,pentyl C5H12,i-pentane C6H5,phenyl C6H5OH,phenol C6H12,cycloC7H7,benzyl C7H14,1-heptene C7H16,2-methylh C8H16,1-octene C8H18,isooctane C10H21,n-decyl *H HO2 HCOOH (HCOOH)2 *O2 C(gr) H2O(L) 1.389185 ENTHALPY (KG-MOL)(K)/KG EFFECTIVE FUEL h(2)/R -0.61423553E+03 EFFECTIVE OXIDANT h(1)/R -0.55188616E+00 MIXTURE h0/R -0.25741084E+03 KG-FORM.WT./KG *C *H *O POINT ITN 1 19 2 5 3 6 bi(2) 0.43413669E-01 0.13024101E+00 0.21706834E-01 T 773.150 873.150 1273.150 C -1.418 -2.425 -8.608 bi(1) 0.00000000E+00 0.00000000E+00 0.62502344E-01 H -9.301 -9.244 -9.847 b0i 0.18170909E-01 0.54512727E-01 0.45427273E-01 O -44.129 -40.412 -29.768 THERMODYNAMIC EQUILIBRIUM PROPERTIES AT ASSIGNED TEMPERATURE AND PRESSURE CASE = REACTANT FUEL OXIDANT O/F= MOLES C2H5OH O2 1.38919 1.0000000 2.0000000 %FUEL= 41.855272 ENERGY KJ/KG-MOL -235274.632 -146.832 R,EQ.RATIO= 1.400000 TEMP K 293.150 293.150 PHI,EQ.RATIO= 1.500000 THERMODYNAMIC PROPERTIES P, BAR T, K RHO, KG/CU M H, KJ/KG U, KJ/KG G, KJ/KG S, KJ/(KG)(K) 1.0000 773.15 3.8153-1 -8929.25 -9191.35 -16311.7 9.5485 1.0000 873.15 3.0992-1 -8307.23 -8629.89 -17306.1 10.3063 1.0000 1273.15 2.0795-1 -7316.41 -7797.28 -21652.4 11.2602 M, (1/n) (dLV/dLP)t (dLV/dLT)p Cp, KJ/(KG)(K) GAMMAs SON VEL,M/SEC 24.526 22.500 22.013 -1.04347 -1.03012 -1.00000 1.7181 1.4771 1.0000 6.0309 5.0360 2.1333 1.1396 1.1494 1.2152 546.5 609.0 764.4 MOLE FRACTIONS CH4 *CO *CO2 *H2 H2O 0.05708 0.03421 0.35438 0.18315 0.37119 0.01105 0.09517 0.30262 0.26946 0.32170 0.00000 0.18919 0.21081 0.21081 0.38919 * 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 CH3O C2H HO(CO)2OH CH3CHO,ethanal C2H5OH C3H3,1-propynl C3H5,allyl C3H6O,propanal C3H8O,2propanol C4H6,butadiene C4H8,cis2-buten C4H9,n-butyl C4H10,isobutane C5H10,cycloCH3C(CH3)2CH3 C6H5OH,phenol C6H14,n-hexane C7H15,n-heptyl C8H16,1-octene C10H8,naphthale HCO H2O2 O3 *CH CH3OH C2H2,acetylene C2H3,vinyl CH3COOH CH3OCH3 C3H3,2-propynl C3H6,propylene C3H7,n-propyl C3O2 C4H6,1butyne C4H8,tr2-butene C4H9,i-butyl *C5 C5H11,pentyl C6H2 C6H10,cycloC7H7,benzyl C7H16,n-heptane C8H17,n-octyl C10H21,n-decyl HCCO (HCOOH)2 C(gr) CH2 CH3OOH C2H2,vinylidene CH3CO,acetyl OHCH2COOH CH3O2CH3 C3H4,allene C3H6,cycloC3H7,i-propyl *C4 C4H6,2butyne C4H8,isobutene C4H9,s-butyl C5H6,1,3cycloC5H11,t-pentyl C6H5,phenyl C6H12,1-hexene C7H8 C7H16,2-methylh C8H18,n-octane C12H9,o-bipheny HO2 *O H2O(cr) CH3 COOH CH2CO,ketene C2H4 C2H5 C2O C3H4,propyne C3H6O,propylox C3H8 C4H2,butadiyne C4H6,cycloC4H8,cycloC4H9,t-butyl C5H8,cycloC5H12,n-pentane C6H5O,phenoxy C6H12,cycloC7H8O,cresol-mx C8H8,styrene C8H18,isooctane C12H10,biphenyl HCHO,formaldehy *OH H2O(L) CH2OH *C2 O(CH)2O C2H4O,ethylen-o C2H6 *C3 C3H4,cycloC3H6O,acetone C3H8O,1propanol C4H4,1,3-cycloC4H8,1-butene (CH3COOH)2 C4H10,n-butane C5H10,1-pentene C5H12,i-pentane C6H6 C6H13,n-hexyl C7H14,1-heptene C8H10,ethylbenz C9H19,n-nonyl *H HCOOH *O2 Esempi di limitazioni alla ricerca di minimo Verifiche con Turns: problem case=c3Turns tp t,k=2319, p,bar=10, react fuel=C3H8 moles=1 t,k=300 oxid=O2 moles=5 t,k=300 name=N2 moles=18.8 t,k=300 end T(K) P(bars) MOLE FRACTIONS *CO *CO2 *H *H2 H2O *NO *N2 *O *OH *O2 2319 10 0.00775 0.10788 0.00015 0.00192 0.15112 0.00196 0.72367 0.00010 0.00214 0.00330 2353 100 0.00438 0.11154 0.00004 0.00104 0.15293 0.00150 0.72571 0.00003 0.00115 0.00167