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