Equilibrium Comparisons

0.80

Comparison of Equilibrium composition

and reactor outlet conditions in
experiments

0.70

0.50

H2 (Experiment)
CH4 (Experiment)
CO (Experiment)
CO2(Experiment)

0.40

H2 (Equilibrium)
CH4 (Equilibrium)
CO (Equilibrium)
CO2(Equilibrium)

0.30
0.20
0.80

0.10
0.00
1.00

0.70
1.20

1.40

1.60

1.80

0.60

O/C
Mole Fractions

Mole Fractions

0.60

0.50

H2 (Experiment)
CH4 (Experiment)
CO (Experiment)
CO2(Experiment)

0.40

H2 (Equilibrium)
CH4 (Equilibrium)
CO (Equilibrium)
CO2(Equilibrium)

0.30
0.20
0.10
0.00
2.00

2.50

3.00
S/C

3.50

4.00

0.90

Comparison of Equilibrium composition

and reactor outlet conditions in
simulations

0.80
0.70

H2 (Model)
CH4 (Model)
CO (Model)
CO2(Model)

H2 (Equilibrium)
CH4 (Equilibrium)
CO (Equilibrium)
CO2(Equilibrium)

0.50
0.40
0.30
0.20

0.80

0.10

0.70

0.00
1.00

1.20

1.40

1.60

0.60

1.80

O/C
Mole Fractions

Mole Fractions

0.60

0.50

H2 (Model)
CH4 (Model)
CO (Model)
CO2(Model)

0.40

H2 (Equilibrium)
CH4 (Equilibrium)
CO (Equilibrium)
CO2(Equilibrium)

0.30
0.20
0.10
0.00
2.00

2.50

3.00
S/C

3.50

4.00

Observations

Better fit for hydrogen on restricting CH4 formation

Opposing trend of CO and CO2 are still observed in model
and experiments as compared to equilibrium composition
WGS can possibly explain the higher hydrogen yield and the
CO, CO2 trends
Endothermic reactions take over from S/C = 5. S/C in this
case corresponds to H2O:EtOH molar ratio