KMM312E CHEMICAL REACTION ENGINEERING I Spring2016

In-Class 3
Group No:
Name/No:_____________________ Name/No:_______________________

Name/No:_____________________ Name/No:_______________________

Consider the reaction between the ideal gases A, B, and C:

A + 2B 
→C
A reaction mixture is prepared consisting of 20 % A, 10 % B and 10 % C in inert Ar at a total initial
pressure of 2.15 atm and temperature of 250°C.
a) Which component is the limiting reactant?
b) Provide a qualitative sketch of the concentrations of all species vs. conversion of the limiting reactant,
assuming the reaction is carried out in a constant pressure, isothermal PBR.

Solution:

- The gas phase reaction has a change in the total number of moles.

- A, B and C behave as ideal gases.

- Pressure drop can be neglected. Temperature remains constant too.

a) Since, it is consumed up before A, B is the limiting reactant.

 
The reaction can be expressed as:
+  → 
 

b) Stoichiometric table for constant pressure, isothermal PBR.

Species Initially (mol) Change (mol) Remaining (mol)

A FA0 = θAFB0 -0.5FB0X FB0(θB-0.5X)
B FB0 -FB0X FB0(1-X)
C FC0= θCFB0 +0.5FB0X FB0(θC+0.5X)
I FI0= θIFB0 - FI0
Total FT0 0 FT=FT0+(-1/2-1+1/2) FB0X
FT= FT0+δFB0X

 
=       Change in volumetric flow rate for gas phase reaction at constant
  
temperature and pressure

 =  +  

  +   
=    =    =  1 +  =  1 +   =  1 + 
  

Concentration of species can be expressed as below;

 
 = =
 1 + 

 =  +    =    +  

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 = ' $(&
= $(&
KMM312E CHEMICAL REACTION ENGINEERING I Spring2016
In-Class 3
Group No:
Name/No:_____________________ Name/No:_______________________

Name/No:_____________________ Name/No:_______________________

At initial conditions:

 = * + , , = 2.15 012, 4 = 250° = 523 8, 9 = 1 :;<0= >0?
 

2.15
 = = 0.05 2B=/D
0.082A523
EFG .
 =   = 0.2A0.05 = 0.01 ,  = = 2
H .

EFG .
I = I  = 0.1A0.05 = 0.005 , I = . = 1
H

EFG .
) = )  = 0.1A0.05 = 0.005 , ) = . = 1
H

EFG .L
J = J  = 0.6A0.05 = 0.03 H
, J = . = 6

 
 = I  = 0.1 ∗ −  − 1 +  = −0.1

The stoichiometric table with concentrations;

Initially Change Concentration
Species Remaining (mol)
(mol) (mol) (mol/L)
I 2 − 0.5
A FA0 = θAFB0 -0.5FB0X FB0(θA-0.5X)
1 − 0.1
I 1 − 
B FB0 -FB0X FB0(1-X)
1 − 0.1
I 1 + 0.5
C FC0= θCFB0 0.5FB0X FB0(θC+0.5X)
1 − 0.1
6I
I FI0= θIFB0 - FI0
1 − 0.1
FT=FT0+(-1/2-
Total FT0 0 1+1/2) FB0X
FT= FT0+δFB0X

*A script file was written in Matlab to sketch the concentration vs conversion for the limiting
reactant:
%In class 3
cb0=0.005; %mol/L
x=[0 0.2 0.4 0.6 0.8 1]; %conversion
for i=1:6
ca(i)=cb0*(2-0.5*x(i))/(1-0.1*x(i));
cb(i)=cb0*(1-x(i))/(1-0.1*x(i));
cc(i)=cb0*(1+0.5*x(i))/(1-0.1*x(i));
ci(i)=(6*cb0)/(1-0.1*x(i));
end
KMM312E CHEMICAL REACTION ENGINEERING I Spring2016
In-Class 3
Group No:
Name/No:_____________________ Name/No:_______________________

Name/No:_____________________ Name/No:_______________________

plot(x,ca,x,cb,x,cc,x,ci)

0.035

0.03 I
concentrations a, b, c and inert

0.025

0.02

0.015

0.01 A

0.005 C

B
0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
conversion