Department of Chemical Engineering

SRM University
Tutorial sheet – 4
Chemical reaction Equilibrium

1. For a system in which the following reaction occurs

CH4 + H2O  CO + 3H2
Assume there are 2 moles of CH4, 1 moles of H2O, 1 mol of CO and 4 moles of H2.
Find the mole fraction of each component in terms of extent of reaction, ε.

2. Consider a vessel which initially contains no moles of water vapor. If decomposition occurs
according to the reaction
H2O  H2 + 0.5 O2
Find the expressions which relate the number of moles and the mole fraction of each chemical
species to the reaction coordinate.

3. Multiple reaction problems using reaction coordinate

A gas mixture containing 3 mol CO2, 5 mol H2 and 1 mol water is undergoing the following
reactions:
CO2 + 3H2  CH3OH + H2O
CO2 + H2  CO + H2O
Develop an expressions for the mole fraction of the species in terms of the extent of reaction.

4. Calculate the standard Gibbs free energy change (ΔGo298) and the equilibrium constant Ka at 298
o
K, for the water gas shift reaction. CO2 (g) + H2 (g)  CO (g) + H2O (g)
Data :
Compound ΔGof (KJ/mol)
CO2 -394.82
H2 0
CO -137.33
H2O -228.6

5. The equilibrium constant Ka for the water gas shift reaction at 298 oK is 8.69 x 10-6. Estimate the
value of Ka at 1000 oK assuming that ΔHo is constant in the temperature range 298 oK to 1000 oK.
Data :
Compound ΔHof (KJ/mol)
CO2 393.9
H2 0
CO -110.5
H2O -242
 6. Calculate the standard Enthalpy change (ΔHT) for the reaction at 500 oK.
CO (g) + 2H2(g)  CH3OH (g)
The enthalpy of vaporization of methanol at 298 K is 37.99 kJ/mol.

Compound a b c d e ΔHof ΔGof

(KJ/mol) (KJ/mol)
CO (g) 28.1 4.6 x 10-3 0 0 -0.258 x 105 -110.5 -137.3

H2 (g) 27.1 3.5 x 10-3 0 0 0.690 x 105 0 0

CH3OH (g) 18.4 101.6 x 10-3 -28.7 x 10-6 0 0 -238.6 -166.2

7. Calculate the standard Gibbs free energy change (ΔGT) for the reaction at 500 oK.
CO (g) + 2H2(g)  CH3OH (g)

8. Industrial methanol is produced according to the reaction

CO (g) + 2H2(g)  CH3OH (g)
Estimate the degree of conversion at equilibrium at 500 oK and 5 bar pressure. If the reactor is fed
with the stoichiometric mixture of CO (g) and H2O (g), Determine the composition of the equilibrium
mixture at 500 oK and 5 bar pressure. The enthalpy of vaporization of CH3OH at 298 oK is 37.988
KJ/mol.

9. Estimate the equilibrium composition if CO (g), H2(g) and A(g) are fed to a reactor in the mole
ratio 1:2:5 for the production of methanol. The reaction is maintained at 500 K and 5 bar
pressure. Assume the gas phase behaves ideally
Assume : Ka = 4.97 x 10-3 ;

10. Methanol can be produced according to the reaction given in the problem 6.
Estimate the degree of conversion of CO (g) into methanol at 500 K and 5 bar if
a) An equimolar mixture of CO (g) and H2 (g) is fed to a reactor
b) Stoichiometric mixture of CO (g) and H2 (g) is fed to a reactor and
c) CO (g) and H2 (g) in the ratio of 1:4 enter the reactor