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Answer:

(a)

The given reaction for the formation of ethanal is:

CH 4  g   CO  g   CH 3CHO  g 

Basis of the calculations is taken as 1 mol of CH 4. It is given that equal moles of both the
reactants (CH4 and CO) are fed to the reactor along with 4 moles of nitrogen per mole of CO as
an inert to control the rate of reaction. Thus, feed composition will be:

ni CH 4   1 mol
ni CO   1 mol
ni N2   4 mol

For a single reaction system, the final moles of each of the components present, can be estimated
by the equation:

ni  nio  vi …… (1)

Here, ni is the final moles of the component i , nio is the initial moles of the component i , vi is
the stoichiometric coefficient of the component i in the reaction and  is the extent of the
reaction. vi is taken as negative for reactants and positive for products.

For the given reaction, let the extent of the reaction be  and initially 1 mol CH 4 and 1 mol CO
is present along with 4 mol N 2 . Since, nitrogen (N2) is an inert it does not participate in the
reaction. Thus,

CH 4  g   CO  g   CH 3CHO  g 
1 1 0
1  1  

The overall stoichiometric coefficient for this reaction is,

  1   1  1  1

The individual stoichiometric coefficients for all the components in this reaction is:

 CH 4  1
 CO  1
 CH3CHO  1

Using equation (1), write the expressions for final moles of all the components present in the
products as gases.

nCH4  ni CH4   vCH 4   1  

Total moles of the products will be:

n  nCH 4  nCO  nCH3CHO  nN 2

Mole fraction
 yi  of any component is given by:

ni
yi 
 ni …… (2)

Using equation (2) to write the mole fraction of all the species as:

1 
yCH4 
3
1 
yCO 
3

yCH3CHO 
3
1
yN2 
3
(b)

Equilibrium constant of this reaction can be written as:


 P0 
K    yi 
i
 
i
 P  …… (3)
y 0
Where, i is the mole fraction of component i , P is the pressure of the reaction, and P is the
standard pressure.

Gibb’s free energy in terms of equilibrium constant is written as:

G 0
ln K  
RT …… (4)

Also, Gibbs free energy is calculated using heat of reaction from the equation given as:
T T
T CP0 CP0 dT
G  H   H 00  G00   R 
0 0
0 dT  RT 
T0 R R T
T0 T0
…… (5)
T T
CP0 CP0 dT
 R dT and T R T
Here, T0 0 are defines as:

D    1 
T
CP0 B 2 2 C 3 3
T R dT   A T0    1  2 T0    1  3 T0    1  T0   
0

T
CP0 dT    1  D  
 R T  A ln      1   BT0      CT0
2
 
  2   2T02  
T0
…… (6)

T

Where, T0

From standard tables in text, the standard heat of reaction and Gibb’s free energy for this
reaction is:
G298
0
 128860 J/mol
H 298
0
 166190 J/mol
From standard tables in text, the coefficients for the heat capacity of the component gases are
given as:

Substance A B C D
__
CH 4 1.702 9.081 10 3
2.164  106
__
CO 3.376 0.557  103 
__0.031105
CH3CHO 1.693 17.978 10 3 6.158 103

A , B , C , and D from above given values can be calculated as:


A  ACH3CHO  ACH4   ACO  
 1.693  1.702  3.376
 3.385

B  BCH3CHO  BCH4   BCO  
  17.978  9.081  0.557   103
 8.34  103

C  CCH3CHO  CCH4   CCO  
  6.158   2.164   0  106
 3.994 106

D  DCH3CHO  DCH4   DCO  
  0  0  0.031  105
 0.031 105
T T
CP0 CP0 dT
 R dT and  R T
Now, use equations set (6) to evaluate the values of T0 T0
at equilibrium
temperature of 260 C  533.15 K as:


T 533.15 K
   1.788
T0 298.15 K
D    1 
T
CP0 B 2 2 C 3 3
T R dT   A T0    1  2 T0    1  3 T0    1  T0   
0

  8.34  103  
  3.385   298.15   1.788  1 
2

 298.15  1.788   1 
2 2

  
 
3.994 10  6
 0.031 10   1.788  1  
5


 3

 298.15  1.788  1 
3 3
 298.15

 1.788




 151.896
T
CP0 dT    1  D  
T R T  A ln      1 BT0   2   CT0   2T02 
2

0  
   3.994 106   298.15  2  
  1.788  1   
  3.385  ln  1.788    1.788  1  8.34 10 3   298.15      0.03110 5 
  2    
   1.788  2  298.15  2
  
 0.4096
Now, use equation (5) along with the above calculated values to get the value of G as:
0

T T
CP0 CP0 dT
 G   H     H  G   R 
0 0
0
0
0 dT  RT 
0
0
T0
R T0
R T


  166190    1.788   166190   128860     8.314   151.896    8.314   533.15   0.4096  
 9.889 10 4 J/mol

Use this calculated value of G to calculate the equilibrium constant of the reaction at
0

533.15 K using equation (4) as:

G 0
ln K  
RT
  9.889  104  
K  exp   
  8.314   533.15  
 
K  4.886 109

Now, use equation (3) and the calculated value of the equilibrium constant and calculate  . The
standard pressure is taken as 1 bar .

 P0 
K    yi 
i
 
i
 P 
 1
 1 
  
1 1
 yCO 
1
4.886 109  yCH3CHO yCH4  
 100 
  
 3 
   1 
4.886 10 
9
 
 1    1     100 
 3    3   
  
  0.9999

Now, using this value of  , calculate the equilibrium composition of the product gases as:

1 1  0.999
yCH4    0.0005
3 3  0.999
1 1  0.999
yCO    0.0005
3 3  0.999
 0.999
yCH3CHO    0.4993
3 3  0.999
1 1
yN2    0.4997
3 3  0.999