Assignment # 6 (Deadline: 10th May 2019)

ChE-506: Advanced Chemical Engineering Thermodynamics

M.Sc. Chemical Engineering 2018 Session

1. Consider the reaction

Initially the number of moles of N2 is 1, H2 is 3 and NH3 is 0. The equilibrium constant is 1.175 and the
pressure in the reactor is kept constant at 4 atm. Determine the values of K p and Ky and hence the
equilibrium mole fraction of NH3. If the reaction is carried out at constant temperature and volume what
is the equilibrium pressure of the reactor and equilibrium mole fraction of ammonia in the reactor.
Assume ideal gas phase reaction.

2. Methanol can be manufactured by vapor phase hydrogenation of CO according to reaction

( ) ( ) ( )

The reaction is carried out at 400K and one atm pressure. The vapor product from the reactor contains
40mol% of hydrogen. Assuming the ideal gas behavior determine the mole fraction of CO and CH 3OH in
the equilibrium product. The equilibrium constant at 400K is 1.52.

3. 1 mol of AB when formed from 0.5mol A2 and 0.5mol B2 at 500K has a standard Gibbs free energy
change of -4200 J/mol AB at 500K. Assuming the mixture to behave as ideal gas and calculate the mole
fractions of A2, B2, and AB in equilibrium reaction mixture for the following reactions:
i. , the system initially contains 0.5mol A2 and 0.5mol B2.
ii. , the system initially contains 0.5mol A2 and 0.5mol B2.
iii. , the system initially contains 1mol AB.

4. For Ideal gas phase reaction

Determine the standard heat of reaction as a function of temperature.

Determine the equilibrium constant as a function of temperature.

Given the pressure is 1 atm and temperature is 880K and SO2 and O2 are fed in stoichiometric amounts,
determine the mole fraction of SO3 at equilibrium. The following data are given

kcal/mol, kcal/mol,
kcal/mol, kcal/mol. The standard heat capacity as a function of temperature is
given by where T is in K and in cal/mol.K and is tabulated.
 Component a b x 102 c x 105 d x 109
O2 6.085 0.3631 -0.1709 0.3133
SO2 6.157 1.384 -0.9103 2.057
SO3 3.918 3.483 -2.675 7.744

5. (Liquid Phase Reaction) In a laboratory investigation, ethanol is esterified to produce ethylacetate and
water at 373K and 1atm pressure according to following reaction

() () () ()

Determine the equilibrium constant at 373K. What is the mole fraction of ethyl acetatein equilibrium
reaction mixture if initially one mole each of the acetic acid and ethanol are present. Assume the liquid
mixture to be ideal. The following data are given

Component ( ) ( )
() -116.2 -93.56
() -66.35 -41.76
() -110.72 -76.11
() -68.3174 -56.6899

6. (Heterogeneous Reaction) carbon black is to be produced from methane in a reactor maintained at a

pressure of 1atm and a temperature of 700C via the reaction CH4 → C(s) + 2H2. The equilibrium constant
for his reaction at 700C is 7.403. Calculate the moles of carbon black formed from one mole of methane
and the mole fraction of components in the gas phase at equilibrium.
7. (Heterogeneous Reaction) Determine the equilibrium constant of a reaction at 1042K

( ) ( ) ( )

The following data are available

Component ( ) ( )
( ) -289.5 -270.8
( ) -151.7 -144.3
( ) -94.052 -94.260
The following standard heat capacity data in cal/mol.K are available, T is in K

( )

( )

If thermal decomposition of CaCO3 is carried out in a closed vessel at 1042K What is the equilibrium
pressure of CO2.
8. (Multiple reactions) In the production of synthesis gas the following two independent reactions take
place

Starting with 5 mole of steam and 1moleof methane calculate the equilibrium composition of resulting
mixture at 600C and 1atm. At this temperature the equilibrium constants for the first and second reaction
are 0.574 and 2.21, respectively. Assume the gas mixture follows the ideal gas behavior.