N2(g) + C2H2 > 2HCN + DELTA

-1 -1 2 0 0

APENDICE C
CP(298) 3.502 5.253 4.326 -0.103
a 3.28 6.132 4.736 0.06
b 0.593 1.952 1.359 0.173
c 0 0 0 0
d 0.04 -1.299 -0.725 -0.191
H(298) 0 227480 135100 42720
g(298) 0 209970 124700 39430

R(cm3*bar/(mol.K) 83.14
R (J/mol.K) 8.314
T0(K) 298.15
T/K 923
Tau,T/T0 3.096

K0 1.2353172E-07
K1 116661.811975
K2 1.015
K 0.01462

Avance de reaccion 0.0570

Fraccion molar
Estequiometrico
 ni0 yi ni yi ф
n2 1 -1 0.943 0.4715 1
C2H2 1 -1 0.943 0.4715 1
2 HCN 0 2 0.114 0.057 1
0 0
TOTAL 2 0 2 1

K termodinamica K composicion
Calculo del equilibrio 0.01462 = 0.01462247

Avance de reaccion 0.057

ni0 yi ni yi ф
n2 1 -1 0.943 0.4715 1
C2H2 1 -1 0.943 0.4715 1
2 HCN 0 2 0.114 0.057 1
0 0 0
TOTAL 2 0 2 1

K termodinamica K composicio
Calculo del equilibrio 0.01462 = 0.01462247
FACTOR DELTA
1 0

1
1.00E+00
1.00E-03 1.73E-04
1.00E-06
1.00E+05 -1.91E+04
1.00E+00
1.00E+00

0.02718332 0.0365903 0 -0.0492359011

P YфP
1 0.4715
1 0.4715
1 0.057

P YфP
2 0.943
2 0.943
2 0.114
2
 1-BUTENO > 1,3 Butadien+ H20 + DELTA FACTOR
-1 1 1 -1 1

APENDICE C
CP(298) #VALUE! 1
a 1.967 2.7 3.249 4.016 1.00E+00
b 31.63 27 0.422 -4.422 1.00E-03
c -9.873 -9 0 0.991 1.00E-06
d 0 0 0.083 0.083 1.00E+05
H(298) -540 ### 0 109780 1.00E+00
g(298) 70340 ### 0 79455 1.00E+00

R(cm3*bar/(mol.K) 83.14
R (J/mol.K) 8.314
T0(K) 298.15
T/K 950
Tau,T/T0 3.186

K0 1.2003605E-14
K1 1.5752556E+13
K2 2.845
K 0.53802

Avance de reaccion 0.8432

0
0 Fraccion molar
Estequiometrico
 ni0 yi ni yi ф P
Vapor de agua 6.589 0 6.589 0.7814 1 1
1-buteno 1 -1 0.1568 0.0186 1 1
1,3 butadieno 0 1 0.8432 0.1 1 1
H2 0 1 0.8432 0.1 1 1
TOTAL 7.589 1 8.4322 0.9

K termodinamica K composicion
Calculo del equilibrio 0.53802 = 0.5380
DELTA
1

0
4.02E+00
-4.42E-03
9.91E-07
8.30E+03
109780
79455

1.90E+00 -9.89E-01 1.14E-01 2.20E-02

YфP
0.781
0.019
0.100 0.1
0.100
 CH4 + H2O > CO + 3H2 DELTA
-1 -1 1 3 2

APENDICE C
CP(298) #VALUE!
a 1.702 3.47 3.376 3.249 7.951
b 9.081 1.45 0.557 0.422 -8.708
c -2.164 0 0 0 2.164
d 0 0.121 -0.031 0.083 0.097
H(298) -74520 -241818 -110525 0 205813
g(298) -50460 -228572 -137169 0 141863

R(cm3*bar/(mol.K) 83.14
R (J/mol.K) 8.314
T0(K) 298.15
T/K 1300
Tau,T/T0 4.360

K0 1.3973164E-25
K1 6.1506015E+27
K2 16.109
K 13844.63361

B) EL VOLUMEN DEL GAS BAJA Y LA REACCION SE VA A DEZPLAZAR HACIA DONDE HAY MAS VOLUMEN OS
 FACTOR DELTA
1 2

1
1.00E+00 7.95E+00
1.00E-03 -8.71E-03
1.00E-06 2.16E-06
1.00E+05 9.70E+03
1.00E+00 2.06E+05
1.00E+00 1.42E+05

5.58E+00 -3.36E+00 5.28E-01 0.03240341714

NDE HAY MAS VOLUMEN OSEA HACIA LA DERECHA

P/BAR 1

r1 CH4 + H2O > CO + 3H2

-1 -1 1 3

r2 CH4 + H2O > CO + H2

-1 -1 1 1

n0 VI1 VI2 n Y
CH4 1 -1 0 0.0118 0.002967508
H2O 1 -1 -1 0.009901633 0.0024901
CO 0 1 -1 0.986301633 0.248038837
H2 0 3 1 2.966498367 0.746026146
CO2 0 0 1 0.001898367 0.000477408
TOTAL 2 2 0 3.9764 1
H2/CO 3.00769893 3.00769893
E 0.9882 0.001898367
K 13844.633613 0.579
KCAL 13844.633613 0.579
DELTA FACTOR DELTA k
2 1 2 13845

DELTA FACTOR DELTA k

0 1 0 0.5798
P/BAR 1

r1 CH4 + H2O > CO +

-1 -1 1

r2 CH4 + H2O > CO +

-1 -1 1

no VI1 VI2 n Y
CH4 1 -1 0 1E-04 2.00008E-05
H2O 2 -1 -1 0.8631 0.17262690508
CO 0 1 -1 0.8629 0.17258690348
H2 0 3 1 3.1367 0.6273650946
CO2 0 0 1 0.137 0.02740109604
TOTAL 3 2 0 4.9998 1
H2/CO 3.635067795 3.63506779465
E 0.9999 0.137
K 13844.633613 0.579
KCAL 13844.633613 0.579
3H2 DELTA FACTOR DELTA k
3 2 1 2 13845

H2 DELTA FACTOR DELTA k

1 0 1 0 0.5798
P/BAR 1

r1 CH4 + H2O > CO + 3H2

-1 -1 1 3

r2 CH4 + H2O > CO + H2

-1 -1 1 1

no VI1 VI2 n Y
CH4 1 -1 0 0.001 0.00020008
H2O 1 -1 -1 0.701 0.140256102
CO 0 1 -1 1.699 0.339935974
H2 0 3 1 2.297 0.459583834
CO2 1 0 1 0.3 0.06002401
TOTAL 3 2 0 4.998 1
H2/CO 1.351971748 1.351971748
E 0.999 -0.7
K 13844.633613 0.579
KCAL 13844.633613 0.579
DELTA FACTOR DELTA k
2 1 2 13845

DELTA FACTOR DELTA k

0 1 0 0.5798