ADDIS ABABA SCIENCE AND TECHNOLOGY UNIVERSITY

CHEMICAL ENGINEERING DEPARTMENT

“Chemical Reaction Engineering”

Lecture 1
Lecturer: Assefa A.(M.Sc.)
Date 14-Oct-19
Introduction to Chemical Reaction Engineering (CRE)

 What CRE is about?

• Chemical kinetics
 concerned with the rates and mechanism of chemical reactions
and the factors affecting these rates
• Reactor design
 concerned with the rational design and/or analysis of
performance of chemical reactors
 The information obtained from kinetics is used a means to
design a reactor (determine something about the reactor: size,
flow and thermal configuration, product distribution)
 Chemical reaction engineering is at the heart of virtually every
chemical process.
Introduction to Chemical Reaction Engineering (CRE)

Chemical Process
• The conversion process of any raw materials to products could
pass through a number of steps.
• For illustration see the following schematic approach:
Introduction to Chemical Reaction Engineering (CRE)

 The steps can be stated as:

Step 1. Preparation of raw materials (Purification, Grinding
etc.)
Step 2. Chemical process with partial conversion
Step 3. Separation of non-converted raw material.
Step 4. Separation of unwanted and wanted products.
 In the above processes, the steps 1, 3 and 4 are physical treatments
and are mainly carried out in unit operations.
 The steps of a chemical process can be simple or complex:
 Depending upon the purity of the raw material,
 The desired quality of the products etc
Introduction to Chemical Reaction Engineering (CRE)

 The key to economic success or failure of a chemical plant is:

 The selection of a reaction system that operates in the safest
and most efficient manner

For example, if a reaction system produces a large amount of

undesirable product, subsequent purification and separation of the
desired product could make the entire process economically unfeasible.

 Reactors performance are described mainly by material balance

equation and the rate equation.
Introduction to Chemical Reaction Engineering (CRE)

 Scope of CRE

• Petroleum refining, Petrochemicals, chemicals and

pharmaceuticals
• Biotechnology, microelectronics, advanced materials and energy
from non-fossil resources
• Environment, pollution prevention and sustainable development
• Energy production
• In engines (internal-combustion, jet, rocket, etc.)
• Electrochemical cells (lead-acid, fuel)
Introduction to Chemical Reaction Engineering (CRE)

 Chemical Identity

• A chemical species is said to have reacted when it has lost its

chemical identity.
• The identity of a chemical species is determined by the kind,
number, and configuration of that species’ atoms
• There are three basic ways a species may lose its chemical
identity:
1. Decomposition: CH3CH3  H2 + H2C=CH2
2. Combination: N2 + O2  2NO
3. Isomerization: C2H5CH=CH2  CH2=C(CH3)2
Introduction to Chemical Reaction Engineering (CRE)

 Reaction Rate

• The reaction rate is the speed at which a species looses its

chemical identity per time per unit volume
• The rate of a reaction (mol/dm3/s) can be expressed as either:
– The rate of Disappearance of reactant: -rR
– The rate of Formation (Generation) of product: rP
– Where R for reactant species and P for product species
Introduction to Chemical Reaction Engineering (CRE)

 Classification of Chemical Reactions

• There is no specific guideline to classify reactions due to the

complexity of the nature of the reactions.
• In general, reaction can be classified as follows:
 According to the number of phases involved in the reactions,
- Homogeneous reaction
- Heterogeneous Reaction
 According to the type of reaction
- Reversible reaction
- Irreversible reaction
Introduction to Chemical Reaction Engineering (CRE)

 According to the no. of rate or stoichiometric equations

- Simple reaction
- Complex reaction
 According to the relation ship b/n stoichiometric & rate
equation
-Elementary reaction
-Non elementary reaction
 According to the process nature of the reaction (presence
or absence of catalyst)
- Catalytic reaction
- Non-catalytic reaction
Introduction to Chemical Reaction Engineering (CRE)

 According to the process conditions of the reaction

- Isothermal reaction
- Non-isothermal reaction
- Adiabatic reaction
-Non-adiabatic reaction

• However, it should be well understood that one reaction may

simultaneously belong to classifications stated above.

• Example of reaction may be homogenous, simple, irreversible etc.

Introduction to Chemical Reaction Engineering (CRE)

Schematic presentation of classification of reaction

Introduction to Chemical Reaction Engineering (CRE)
Introduction to Chemical Reaction Engineering (CRE)
• Elementary reactions are reactions in which the rate equation corresponds to a
stoichiometric equation (order of reaction coincide with stoichiometric coefficients of
reactants)
Example:

N2O5(g) N2O4(g) +(1/2)O2(g)

−𝑟𝑁2 𝑂5 = 𝑘 𝑁2 𝑂5 = 𝑘𝐶𝑁2 𝑂5

• Non elementary reactions: when there is no direct correspondence between

stoichiometry and rate equations(the order is not the stoichiometric coefficient of the
reactants)
Example:
Introduction to Chemical Reaction Engineering (CRE)

• Homogeneous reaction if the reaction takes place in one phase alone

• Heterogeneous reactions involve more than one phase (gas-liquid, gas-
solid, liquid-solid, and gas-liquid-solid)
It is more complicated than homogeneous reactions due to interaction
between physical and chemical processes; that is, reactants in one phase
have to be transported (physical process) to the other phase, containing
other reactants where the reactions take place

Q1. Which one is homogenous reaction and which one is heterogeneous reaction?
a. 2NO2(g) 2NO(g) + O2(g) Homogenous
b. C(S)+O2(g) CO2 (g)
c. SO2Cl2(l) SO2(g) + Cl2(g) Heterogeneous
d. 2NH3(g) W 2N2(g) + 3H2(g) Heterogeneous
Heterogeneous
Introduction to Chemical Reaction Engineering (CRE)

• Irreversible reaction- the reactants react to form the products, which

cannot revert back in to reactants.

• Reversible reaction-reactants react with other reactants to form products

,the products are reacting with other products to form reactants

 is one in which conversion of reactants to products is incomplete at

equilibrium because of an increasing influence of the reverse reaction
as the forward reaction approaches equilibrium
Introduction to Chemical Reaction Engineering (CRE)

• Single reaction: when a single stoichiometric equation and single rate

equation are chosen to represent the progress of the reaction
A B+C
• Multiple reaction: when more than one stoichiometric equation is chosen to
represent the observed changes, then more than one kinetic expression is needed
to follow the changing composition of all the reaction components
• Multiple reactions may be classified as:
1. Series reactions

Consecutively
Introduction to Chemical Reaction Engineering (CRE)

2. Parallel reactions

3. Complex reactions

• Reaction proceeds in parallel with respect to B, but in series with

respect to A, R, and S
 Introduction to Chemical Reaction Engineering (CRE)
Conversion: tells the fraction of reactant A converted in to product(s)
A B+C
XA= (nA0- nA)/nA0 (batch reactor) or XA= (FA0- FA)/FA0 (continuous reactors)
Selectivity: tells the ratio of desired product to undesired product

• Instantaneous selectivity:
𝑟𝐵
𝑆𝐵 =
𝑟𝑈
• Overall selectivity:
Introduction to Chemical Reaction Engineering (CRE)

Yield: tells the ratio of desired product formed to the reactant reacted.
• Instantaneous fractional yield: the fraction of A disappearing at any instant
which is transformed into desired product R.

• Overall fractional yield: mean of the instantaneous fractional yields at

all points within the reactor.
Introduction to Chemical Reaction Engineering (CRE)

Selectivity and Yield Summary

Introduction to Chemical Reaction Engineering (CRE)

A chemical Reactor
• Is a device in which change in composition of matter occurs by
chemical reaction.
• Is the “heart” of an overall chemical or biochemical process
• Design includes determining the type, size, configuration, cost, and
operating conditions of the device.
Introduction to Chemical Reaction Engineering (CRE)

Reactor Design
To ensure good designing of a reactor in a chemical process it
needs:
• Knowledge from the different sciences such as kinetics,
thermodynamics, fluid mechanics, heat transfer, mass transfer,
diffusion, mixing, economics etc.

Thermodynamics of Chemical Reaction

• Thermodynamics and kinetics are needed to answer the following
questions respectively.
What changes can we expect to occur?
How quickly will they take place
Introduction to Chemical Reaction Engineering (CRE)

• A chemical reaction cannot be made to produce a conversion beyond that

of chemical equilibrium due to the application of the Second law of
thermodynamics,
∆GR = 0
where ∆GR, Gibbs free energy of the reaction
• Thermodynamics in chemical process is concerned with two main
aspects:
 the heat liberated (or absorbed) during reaction (heat of reaction)
 the maximum attainable conversion
Introduction to Chemical Reaction Engineering (CRE)

Heat of Reaction
• Chemical reactions are invariably accompanied by the liberation or
absorption of heat; such type of reaction is demonstrated as
where ∆HR heat of reaction; ( + ) for endothermic and ( - ) for
exothermic
• Handling of this heat is a major concern in a chemical process and
therefore, the magnitude of ∆HR must be known for proper
design of chemical process.
Introduction to Chemical Reaction Engineering (CRE)

Maximum conversion
• Thermodynamics also allows calculation of the equilibrium
constant, K from the well known standard free energies ∆G0R
equation of the reacting material.
• With the equilibrium constant known, the expected maximum
conversion of the reactant and/or the yield of the product of

reaction can be estimated.

Introduction to Chemical Reaction Engineering (CRE)
 Why CRE for Environmental Engineers?
• Biomass conversion, energy production and environmental waste
remediation, wastewater treatment processes take place in chemical
reactors (e.g. multiphase reactors- fluidized bed reactors)
• Conversion of hazardous wastes in to non - hazardous wastes take
place in chemical reactors(e.g. CSTR reactors)
e.g.1 Conversion of high toxic cynaide in to less toxic cyanate
and further in to non-toxic carbon dioxide and nitrogen gas.
e.g.2 Neutralization of corrosive hazardous wastes (pH <2
or>12.5)
• Study the kinetics and kinetic models of any environmental related
reactions.
Introduction to Chemical Reaction Engineering (CRE)
Some of waste remediation related reactions:
• Gasification reaction
• Pyrolysis reaction
• Incineration reaction
• Combustion reaction
• Neutralization reaction
• Oxidation-reduction reaction
• Biodegradation reaction
• Decomposition reaction
• Precipitation reaction
• Hydrolysis reaction
• Ion exchange reaction
• Wet air oxidation photolysis
Introduction to Chemical Reaction Engineering (CRE)

 How do we know the progress of the reaction?

Due to the change in variables like:

Conductivity
Concentration
Mass
Conversion
Extent of reaction