Reactant

O2
CH4
CO
CO2
C2 H 4
C2 H 6
H 2O
H2

After Reaction 1 After Reaction 2

species CH4
C2H6
conversion
0.1507782076
0.5360201104
reacted 731.2743016601 236.1903536641
Initial

1314.36316182
4849.99996467
0
74.9999616473
0
74.9999616473
0
0

1131.5445864018 1013.4494095698
4118.7256630149 4118.7256630149
0

74.9999616473

74.9999616473

236.1903536641

440.6371124774

204.4467588133

365.63715083

601.8275044941

After Reaction 3
4
5
6
C2H6
CH4
CH4
CO
0.2173998204 0.0723498824 0.0695501339 0.4887155207
44.4466886445 297.98931719 265.7327246 145.63200431
Final

34.574 -1279.789
3546 -1303.834
4118.7256630149 3820.7363458 3555.0036212 3555.0036212
0 297.98931719 297.98931719 152.35731288 157.28 157.2831
74.9999616473 74.999961647 340.73268624 486.36469055 481.24 406.2439
280.6370423086 280.63704231 280.63704231 280.63704231 279.47 279.4707
165 89.99943
160.0000701687 160.00007017 160.00007017 160.00007017
1589 1588.791
601.8275044941 1197.8061389 1729.2715881 1583.6395838
44.4466886445 44.446688645 44.446688645 190.07869295 203.26 203.2648
1013.4494095698 566.46543379 34.999984597 34.999984597

6443.0809984 6455.793

-0.426179
-8.837445
4.925784
-5.120878
-1.166353
4.999322
5.151485
13.18606

Step

Numerator
Raw Data

Units

k0,j
mol g-1 s-1. Pa-(m+n)
mol m-3 s-1 Pa-(m+n)
1
2.00E-06
16.8
2
23.2
194880000
3
5.20E-07
4.368
4
1.10E-04
924
5
1.70E-01
1428000
6
6.00E-02
504000
7
1.20E+07
8
9.30E+03
78120000000
9
1.90E-04
1596
10
2.60E-02
218400

sd

s
d
s

umerator

Denominator
A
E,2
A
E
Input Data
Raw
Input
Input
Input
Raw
Ea
Kj,CO2
dHad,CO2 KO2
kmol m-3 s-1 Pa-(m+n)
kJ/mol
kJ/mol
Pa-1
kJ/mol
Pa-1
1.680000E-02
48
48 2.50E-13
-175
4.309813E+00
182
132.4 8.30E-14
-186 2.30E-12
4.368000E-03
68
68 3.60E-14
-187
9.240000E-01
104
104 4.00E-13
-168
1.428000E+03
157
157 4.50E-13
-166
5.040000E+02
166
166 1.60E-13
-211
1.200000E+04
226
226
7.812000E+07
300
300
1.596000E+00
173
173
2.184000E+02
220
220

ds
sd
s

A2
Input
KO2^n
Pa-n
2.21E-05

Raw
dHad,O2
kJ/mol

E2
Input
dHad,O2*n
kJ/mol

-124

pc

po2/ph2o/ph2
Input

m
n
0.24

-49.6
0.57
1
0.95
1
1
0.97
1
1

0.76
0.4
0.85
0.55
0.37
0.96
0
1
1

Catalyst Properties
void fraction:
0.3
density:
3.60E+03

s
s

sd
s

kg m-3

Step
A
E
Input
Raw
k0
Ea
kmol s-1 kg-1 Pa-(m+n) kmol m-3 s-1 Pa-(m+n)
kJ/mol
1
2.94E+01
3.677030E-04
212.6
2
3.07E-01
2.251333E+02
98.54
3
6.65E-02
4.876667E+01
146.8
4
5.26E-04
3.857333E-01
114.6
5
2.70E-03
1.980000E+00
153.5
6
1.81E-01
1.327333E+02
174.4
7
4.61E+02
3.380667E+05
394.2
8
1.08E+07
1.080000E+07
291.9
9
5.77E-03
4.231333E+00
158
10
5.24E-06
3.842667E-03
131.3
Raw

Units

E
K1
E1
pc
po2/ph2o/ph2
Input
Input
Input
Input
Ea
KO2
dHad,O2
kJ/kmol
Pa-n
kJ/kmol
m
n
121175 1.71E-08
-91425
1
0.75
98540
0.85
0.5
146800
0.5
1.57
114600
0.5
0.5
153500
0.91
0.5
174400
0.72
0.4
394200
1.62
0.71
291900
0.88
0
158000
1
1
131300
1
1

Catalyst Properties
void fraction:
0.6
density:
1.10E+03

kg m-3