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-5 Y_O2 is not equal to 1

TEMPERATURE
PRESSURE
GAS CONSTANT
g CO
g H0
g CO
g H
Reaction Coordinate
RT

Abbreviation
T
P
R

Value
1000
1
0.0083145
-200.281
-192.603
-395.865
0
0.54469638
8.3145

Units
K
Bar
KJ/(Mol*K)
KJ/Mol
KJ/Mol
KJ/Mol
KJ/Mol
Mol
KJ/Mol

vi
-1
-1
1
1

n, mol
1
1
0
0

Calculations
Species
1
2
3
4

g/RT
-24.08815924
-23.16471225
-47.61140177
0

SUM
g/RT

n+vi*
0.455304
0.455304
0.544696
0.544696
2

yi
0.227652
0.227652
0.272348
0.272348
1

yi*g/RT
-5.48371
-5.27349
-12.9669
0
-23.7241

yi*Ln(yi*P)
-0.336910556
-0.336910556
-0.354236189
-0.354236189
-1.382293489

-25.10637431
-24.6

0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9

g/RT
-24.66259241
-24.85583838
-24.98422677
-25.06430065
-25.10236268
-25.10015368
-25.05593282
-24.96339746
-24.80600452

-24.65 0

0.2

0.4

0.6

-24.7
-24.75
-24.8

g/RT

-24.85
-24.9
-24.95
-25
-25.05
-25.1
-25.15

Reaction Coordinate

THE PLOT g/RT vs. shows that the reaction coordinate value of 0.5447 mol matches exactly the value that minimizes g/RT=-25.10637431

0.8

TEMPERATURE
PRESSURE
GAS CONSTANT
g CO
g H0
g CO
g H
Reaction Coordinate
RT

Abbreviation
T
P
R

Value
800
1
0.0083145
-182.494
-203.501
-395.558
0
0.67235362
6.6516

Units
K
Bar
KJ/(Mol*K)
KJ/Mol
KJ/Mol
KJ/Mol
KJ/Mol
Mol
KJ/Mol

vi
-1
-1
1
1

n, mol
1
1
0
0

Calculations
Species
1
2
3
4

g/RT
-27.4361056
-30.5942931
-59.4680979
0

SUM

g/RT

-30.82416696

n+vi*
0.327646
0.327646
0.672354
0.672354
2

yi
0.163823
0.163823
0.336177
0.336177
1

yi*g/RT
-4.49467
-5.01205
-19.9918
0
-29.4985

yi*Ln(yi*P)
-0.296350832
-0.296350832
-0.366472404
-0.366472404
-1.325646472

TEMPERATURE
PRESSURE
GAS CONSTANT
g CO
g H0
g CO
g H
Reaction Coordinate
RT

Abbreviation
T
P
R

Value
1200
1
0.0083145
-217.829
-181.45
-396.081
0
0.46001999
9.9774

Units
K
Bar
KJ/(Mol*K)
KJ/Mol
KJ/Mol
KJ/Mol
KJ/Mol
Mol
KJ/Mol

vi
-1
-1
1
1

n, mol
1
1
0
0

Calculations
Species
1
2
3
4

g/RT
-21.83224086
-18.18610059
-39.69781707
0

SUM
g/RT

-21.31854106

-5 Most favorable T for Y_H2

n+vi*
0.53998
0.53998
0.46002
0.46002
2

yi
0.26999
0.26999
0.23001
0.23001
1

yi*g/RT
-5.89449
-4.91007
-9.13089
0
-19.9354

yi*Ln(yi*P)
-0.353516905
-0.353516905
-0.338030167
-0.338030167
-1.383094143

90/100

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