Chemical Reaction Engineering

Course Code: CHE 331

Course Cr. Hrs.: 4(3,1)
Course Instructor:
Dr. Muhammad Haris Hamayun
Assistant Professor,
Department of Chemical Engineering,
COMSATS University Islamabad, Lahore Campus.
Contact Email: mhhamayun@cuilahore.edu.pk
1
 Course Contents

Kinetics of homogeneous reactions: rate of reaction, variables affecting the rate of

reaction, order of reaction, rate constant; searching for a mechanism of reaction,
activation energy and temperature dependency. Interpretation of batch reactor data for
single and multiple reactions. Integral method and differential method of analysis for
constant volume and variable volume batch reactors, search for a rate equation. Design
of homogeneous reactors, Batch, Mixed flow, Plug flow reactors, Comparison of single
reactor, multiple reactor systems in parallel/series. Temperature and pressure effects.
Adiabatic and non-adiabatic operations. Surface phenomenon and catalysis,
Heterogeneous reaction systems, rate equations for heterogeneous reactions, fluid
particle reactions, determination of rate controlling steps. Catalysis desorption
isotherms, kinetics of solid catalyzed reactions. Catalyst deactivation and regeneration.
Design of fluid-solid catalytic reactors.

2
 Recommended Books

1) H. Scott Fogler, Elements of Chemical Reaction Engineering, 5th edition, Prentice

Hall, 2016.

2) Octave Levenspiel, Chemical Reaction Engineering, 3rd edition, Wiley India Pvt.
Limited, 2006.

3) Elsie Perkins, Chemical Reaction Engineering, WILLFORD Press, 2022.

3
 CLOs and Mapping with PLOs

Understand • Describe the fundamentals of chemical reaction

(C2, PLO1) engineering.

Apply • Apply the fundamentals of chemical reaction

(C3, PLO1) engineering.

Analysis • Analyze the kinetic data using different methods of

(C4, PLO2) data analysis.

Design • Design isothermal and nonisothermal reactors (e.g.,

(C6, PLO3) Batch, CSTR, PFR, PBR etc.)

4
 OBE in a Nutshell

◼ What do you want the students to have or able

to do? ◼ Knowledge, Skill, Affective

◼ How can you best help students achieve it?

◼ Student Centred Delivery

◼ How will you know what they have achieved it?

◼ Assessment

◼ How do you close the loop

◼ Plan, Do, Check, Act (PDCA)
5
 Today’s Course Coverage (CLO # 2 & 3)

• Stoichiometry Table for Batch and Flow System

• Concentration Terms for Batch and Flow Systems

6
 Batch System

b c d
A+ B→ C+ D
a a a

NA = NA0 − NA0 X = NA0 (1 − X) 7

 Stoichiometric Table for Batch System
Species Initially (mol) Change (mol) Remaining (mol)

A NA0 −(NA0 X) NA = NA0 − NA0 X

B NB0 b b
− (NA0 X) NB = NB0 − NA0 X
a a
C NC0 c c
+ (NA0 X) NC = NC0 + NA0 X
a a
D ND0 d d
+ (NA0 X) ND = ND0 + NA0 X
a a
I NI0 - NI = NI0
Totals NT0 d c b
NT = NT0 + + − − 1 NA0 X
a a a
change in total number of moles
Where: δ = NT = NT0 + 𝛿 NA0 X
Moles of A reacted 8
 Concentration Term for Batch System
c
NA NC NC0 + a NA0 X
CA = CC = =
V V V
d
NA = NA0 (1 − X) ND ND0 + a NA0 X
CD = =
V V

NA0 (1 − X) Because almost all batch reactors are solid

CA =
V vessels, the reactor volume is constant.
Accordingly, we will take: V = V0
b
NB NB0 − a NA0 X
CB = = NA0 (1 − X)
V V CA = = CA0 (1 − X)
V0
9
 Concentration Term for Batch System
b
NB NB0 − N X b
a A0 CB = CA0 θB − X
CB = = a
V V

Moles of species i initially c

θi = NA0 θC + X
Moles of species A initially CC = a
V0
Ni0 Ci0 yi0 c
θi = = = CC = CA0 θC + X
NA0 CA0 yA0 a

NB0 b d
NA0 − X NA0 θD + X
NA0 a a
CB = CD =
V0 V0
b d
NA0 θB − X
a CD = CA0 θD + X
CB = a
V0 10
 Summary
b c d
A+ B→ C+ D
a a a

To summarize for constant-volume batch systems and for liquid-phase reactions, we can
use a rate law for reaction

−rA = kCA CB

2 b
−rA = kCA0 1 − X θB − X = f(X)
a

11
Example

12
First Prepare the Stoichiometric Table

13
 Now, find the Limiting Reactant
Having set up the stoichiometric table in the previous slide, one can now readily use it to calculate the concentrations at a given conversion. If the initial
mixture consists of sodium hydroxide at a concentration of 10 mol/dm3 (i.e., 10 mol/L or 10 kmol/m3) and glyceryl stearate at a concentration of 2
mol/dm3, what are the concentrations of glycerol stearate, B, and of glycerine, D, when the conversion of sodium hydroxide is c(a) 20% and (b) 90%?

14
Flow Systems

b c d
A+ B→ C+ D
a a a

15
 Stoichiometric Table – Flow Systems
Species Feed Rate to the Change (mol) Remaining (mol)
reactor (mol/time)
A FA0 −(FA0 X) FA = FA0 − FA0 X = FA0 (1 − X)
B FB0 = θB FA0 b b
− (FA0 X) FB = FA0 θB − X
a a
C FC0 = θC FA0 c c
+ (FA0 X) FC = FA0 θC + X
a a
D FD0 = θD FA0 d d
+ (FA0 X) FD = FA0 θD + X
a a
I FI0 = θI FA0 - FI = θI FA0
Totals NT0 d c b
FT = FT0 + + − − 1 FA0 X
a a a
change in total number of moles
Where: δ = FT = FT0 + δ FA0 X 16
Moles of A reacted
 Concentration Term for Flow System
Fi0 Ci0 𝑣0 Ci0 yi0
θi = = = =
FA0 CA0 𝑣0 CA0 yA0

b
FA FA0 (1 − X) FB FB0 − FA0 X
CA = = CB = = a
𝑣 𝑣 𝑣 𝑣

c d
FC FC0 + FA0 X FD FD0 + FA0 X
CC = = a CD = = a
𝑣 𝑣 𝑣 𝑣

17
 For Liquid Systems
For liquids, the fluid volume change with reaction is negligible when no phase changes are
taking place. Consequently, we can take: 𝑣 = 𝑣0

FB b
FA0 (1 − X) CB = = CA0 θB − X
CA = = CA0 (1 − X) 𝑣0 a
𝑣0

FC c FD d
CC = = CA0 θC + X CD = = CA0 θD + X
𝑣0 a 𝑣0 a

18