KC33303 Chemical Reaction Engineering

Semester 1 2023/2024
Course Intructor: Ts. Dr. Noor Maizura Ismail
Synopsis: The purpose of this course is to provide the students with the
rationale in chemical kinetics in the design of chemical reactors
and to solve practical problems and are useful in process control
systems and plant design process where chemical engineering
principles and applications will be used to build plants that work
economically, safely, environment-friendly and without raising
concerns in the society.
Prerequisites: None
Course Outcomes: By the end of the course the students will be able to
• To solve fundamentals of chemical kinetics (CO1) – PO1
• To design the chemical reactors (CO2) – PO2
• To identify, formulate, and chemical engineering design
problems. (CO3) – PO2

KC32203 Chemical
Reaction Engineering
Assessments:

Assessment wt% CO PO
Assignments 10 1, 2 1
Project 20 1, 2 1
Tests 30 1, 2 2,3
Final Examination 40 1, 2 2,3

Lecture Time:

Credit Hour: 3 (2 hrs lecture & 1 hr tutorial)

Lecturer: Dr. Noor Maizura Ismail
Lecture Session : Mon (10.00 A.M. – 12.00 Noon) at Bilik Interaksi 4
Thurs (8.00 A.M. – 10.00 A.M.) at BT26
http://umich.edu/~elements/
 KC32203 Chemical
Reaction Engineering
Today’s Lecture:
• Introduction
• Definition
• General Mole Balance Equation
• Batch
• Continuous Flow
Ø CSTR
Ø PFR
Ø PBR

KC32203 Chemical
Reaction Engineering
 Introduction & Definition
• Chemical Reaction Engineering (CRE) is the
discipline that quantifies the interactions of
transport phenomena and reaction kinetics in
relating reactor performance to operating
conditions and feed variables.
• Examples of application:
• Waste treatment
• Microelectronics
• Nanoparticles
• Manufacture of chemicals & pharmaceuticals

KC32203 Chemical
Reaction Engineering
Fuel Cell Pharmacokinetics: Smog Modeling

Oil Recovery Ethylene Production Waste Treatment

Why Chemical Reaction Engineering (CRE)??

Search for alternative processes to replace old ones

• Novel reactors (use of metallocene catalysts to produce new HDPE/PP materials)

Find routes to make a product from different feedstock

• Novel processes for synthesis-gas production

• Hydrocarbon production from syn gas
• Biodiesel production
• Polymers produced from renewable feedstocks

Reduce/eliminate unwanted byproducts, intermediates, solvents,

etc…
• Reduced solvent content in paints
• NOx reduction
http://www.chemeng.queensu.ca/courses/CHEE346/
Essential aspects of chemical reactor design

(CFD Simulation in Chemical Engineering, Ravindra A., 2017)

 1.1 Rate of Reaction, -rA

• The reaction rate is the rate at which a species

looses its chemical identity per unit volume.
• The rate of a reaction (mol/dm3/s) can be
expressed as either:
the rate of Disappearance: -rA
or as
the rate of Formation (Generation): rA
Any chemical component/element
KC32203 Chemical
with a given identity (type, no, conf)
Reaction Engineering
 Chemical Identity
• A chemical species is said to have reacted
when it has lost its chemical identity.

1. Decomposition

2. Combination

3. Isomerization

KC32203 Chemical
Reaction Engineering
 Examples of Reaction Rate
• For a reaction:
AB
If Species B is being formed at a rate of 0.2 moles per
decimeter cubed per second, ie,
rB = 0.2 mole/dm3/s

Then A is disappearing at the same rate:

-rA= 0.2 mole/dm3/s

The rate of formation (generation of A )is

rA= -0.2 mole/dm3/s
KC32203 Chemical
Reaction Engineering
 Rate Equation (Rate Law)
• Chemical rxn rate law – algebraic equation
involving conc.
A Products
Linear function of conc,
-rA = kCA
Or higher order,
-rA = kCA2

KC32203 Chemical
Reaction Engineering
 Reaction Rate
• For a catalytic reaction, we refer to -rA', which is the rate of
disappearance of species A on a per mass of catalyst basis
(mol/gcat/s). NOTE: dCA/dt is not the rate of reaction.

• rA is the rate of formation of species A per unit volume [e.g.

mol/dm3*s]

rA is a function of concentration, rA is independent of the type of

temperature, pressure, and the reaction system (batch reactor,
type of catalyst (if any). plug flow reactor, etc.)

KC32203 Chemical
Reaction Engineering
 1. 2 The General Mole Balance Equation
Balance on a system volume

Mole balance on species j, at any time, t gives:

Nj = no. of
moles of
species j
in syst, at
time t

KC32203 Chemical
Reaction Engineering
 Rate of Rate of
generation formation Reaction
of species j, of species j vol.

Suppose that the rate of formation of species varies with position,

Similar rate of generation of species Gj2,

and other subvolumes, Vi
Hence, total rate of generation is:

KC32203 Chemical
Reaction Engineering
Taking limits s & integral,

We can rewrite the eqn:

Replace Gj in eqn (1-3)

Note: rj will be indirect
function of position, as
properties of rxn materials
and cond. (conc, T) can be
diff values at diff location
And we obtained:

Basic eqn for

chem. rxn.
eng!

KC32203 Chemical
Reaction Engineering
 1. 3 Batch Reactors

• Usage: Small scale, testing

new processes,
manufacture of expensive
products, for processes
that are difficult to convert
to continuous process.

• Adv: high conversion

• Disadv: high labor costs,

variability of product,
difficult large scale op.
Figure 1-5(a): Simple batch Figure 1-5(b): Batch reactor
homogeneous reactor mixing pattern

KC32203 Chemical
Reaction Engineering
Mole balance:

0 0

General mole balance becomes: Remember

For perfect mixing, take rj outside integral, and

integrate and write:

Consider isomerization of A;

KC32203 Chemical
Reaction Engineering
 Moles of A

Moles of B

What is the time, t required to reduce initial no of moles, NA0 to final moles, NA1??
Apply eqn. (1-5):

Integrate with limits at

Rearrange: t = 0, N = NA0
t = t1, N = NA1

To obtain:

KC32203 Chemical
Reaction Engineering
 1. 4 Continuous-Flow Reactors
1.4.1 Continuous-Stirred Tank Reactor (CSTR)
Vat/backmix reactor

Liquid phase operation

• Operated at steady state, well

mixed (no time & position
dependence on T, conc. or
reaction rate)

• T & conc. are the same at

every point in the vessel & exit
point
KC32203 Chemical
Reaction Engineering
From the general mole balance eqn.:

0 Steady state
(condition do
not change
with time)
Perfect mixing (no spatial variation in rate of rxn):

Substitute in eqn. 1-4 and rearrange:

(1-7)

KC32203 Chemical
Reaction Engineering
 Concentration of
species
Molar flow Volumetric
rate flow rate

Combine eqn. (1-7) and (1-8) to obtain:

KC32203 Chemical
Reaction Engineering
 1.4.2 Tubular Reactor

• Steady state
• Consists of cylindrical
pipe
• Gas phase rxns
• Flow field modeled by
plug flow profile
• No radial variation in
rxn rate
• Referred as plug-flow
reactor

KC32203 Chemical
Reaction Engineering
The general mole balance eqn:

Choose small differential vol, V that no special variation in rxn rate,

generation term can be defined as:

KC32203 Chemical
Reaction Engineering
Divide by V and rearrange:
The bracket
term
resembles
definition of
derivative

Take limit as V approaches 0 :

KC32203 Chemical
Reaction Engineering
Imagine we have irregular shape?

The resultant eqn.

Apply eqn 1-10 would lead to eqn 1-11. applies well to TR
For species A , the mole balance is: model

Ideal PFR does not depend on shape, but total vol!

KC32203 Chemical
Reaction Engineering
Again, consider isomerization of A;

What is the reactor vol., V1 neccesary to reduce from FA0 to FA1?

Rearrange eqn (1-12):

KC32203 Chemical
Reaction Engineering
 1.4.3 Packed-Bed Reactor
Diff btw calc for homogeneous and fluid solid heterogeneous is we need to
consider rxn on surface of catalyst, W rather on on vol, V of reactor.
Rate of rxn:

KC32203 Chemical
Reaction Engineering
 • Derivation of design eqn.
analogous to the tubular design
eqn.
• Replace vol. coordinate in Eqn.1-10
with catalyst weight, W

No radial gradients in conc, T, & rxn rate, hence the mole balance:

KC32203 Chemical
Reaction Engineering
 Divide by W, and take limit as W 0, yield the differential form
of packed-bed reactor.

Assume pressure drop & catalyst decay (section 10.7) can be

neglected, the catalyst weight can be calculated by using:

KC32203 Chemical
Reaction Engineering
 Summary of Reactor Mole Balances

Note: Steady state – cond. Do not change with time

No spatial variations – perfect mixing
KC32203 Chemical
Reaction Engineering