CHE594

Chemical Reaction Engineering

Norhasyimi Rahmat
Office: PA-A11-2C
Phone Number: 03-55436322
Reference
Fogler 4
th
edition, Levenspiel 3
rd
edition
What is chemical reaction?
Definition of reaction rate
Concentration over time
Rate law/rate of equation
Classification of reactions
Homogeneous and heterogeneous reaction
Elementary and non-elementary reaction
Temperature dependent term of rate
equation
TOPIC 1
Introduction to
Chemical Reaction Engineering

A process in which at least one new
substance is produced as a result of
chemical change.
The change of a substance into a new substance
which has new/different chemical identity
What is chemical reaction?
How do we know a chemical reaction has occurred ?
Some physical evidence to look for that shows a reaction has
occurred:
- a color change
- formation of a solid (precipitate) within a clear solution
- evidence of a gas
-evolution or absorption of heat
-Types of reactions
Combination reaction A + B AB
Decomposition reactions AB A + B
Displacement reactions AB + C AC + B
Metathesis reactions (double-replacement reactions)
AB + CD AD + CB
Combustion reactions reaction with oxygen
D
e
c
o
m
p
o
s
i
t
i
o
n

Molecule is broken down into smaller molecules,
atoms, fragment
Benzene and propylene formed from cumene
C
o
m
b
i
n
a
t
i
o
n

Molecule/atom to combine with other
molecule/atom
Benzene react with propylene to form cumene
I
s
o
m
e
r
i
z
a
t
i
o
n

Molecules change in configuration
i.e.
Ways a component/species can lose its chemical identity
In industrial chemical process, the typical
situation of chemical process is shown
below:

Simply put, reaction rates can be
defined as speed of reactions.
Some reactions can be very, very slow
i.e. Sewage treatment plants
Some reactions can be very, very fast
i.e. Reactions in rocket engines
The rate of a reaction can be expressed
as the rate of disappearance of a
reactant or as the rate of appearance of
a product
Definition of Reaction Rate
Reaction rate is defined as changes in
concentration over time


Unit SI is mol L
-1
s
-1


Reaction rate can be quantified in terms of
disappearing reactant or appearing
product.


rate ~
dC
i
dt
|
\

|
.
|

aA+bB cC+ dD
For relative rate of reactions, various
species that involved in reaction can be
obtained from stoichiometric coefficient:


r
A
a
=
r
B
b
=
r
C
c
=
r
D
d
Consider this reaction



4 moles of A reacted with 8 moles of B to produce 4 moles of C and 4
moles of D
The rate of equation/ the rate law is an algebraic
equation that depends on reacting materials and
reaction conditions. It is independent of the type
of reactor (batch or continuous).



k is rate constant which is temperature dependent

Rate of Equation
Generally, chemical reactions can be classified
into homogeneous and heterogeneous
reactions.
Homogeneous reaction is a reaction that take
place in one phase alone. i.e. reaction
between 2 gases, 2 liquids, 2 solids
Heterogeneous reaction is a reaction that that
requires the presence of at least 2 phases (or
more) to proceed at certain reaction rate. i.e.
reaction between gas and liquid, gas and
solid, liquid and solid
Classification of Reactions
Variable factors that affect rate of reaction
In homogeneous systems the
temperature, pressure, and
composition are obvious variables.
In heterogeneous, the problem
becomes more complex. Material
may have to move from phase to
phase during reaction; hence, the rate
of mass transfer can become
important.

Consider a single reaction with stoichiometric equation
The rate of disappearance of A is given by
Such reaction is called elementary reaction
Elementary reactions: the rate of equation corresponds to
a stoichiometric coefficients
H
2
+I
2
2HI -r
H
2
=k[H
2
][I
2
]
Elementary reaction
When there is no direct correspondence between
stoichiometry and rate, then we have non-elementary
reactions. The classical example of a non-elementary
reaction is that between hydrogen and bromine,
which has a rate expression
Non-elementary reactions: no direct correspondence
between stoichiometry and rate
Non-elementary reaction
Elementary reactions are often
represented by an equation showing
both the molecularity and the rate
constant. For example




The rate of equation is:
Consider this reaction


Rate of equation that refers to B

Rate of equation that refers to D

Rate of equation that refers to T




Non-elementary reaction always involve
intermediate and multiple reactions
However, it is difficult to quantify the
concentration of intermediate since it exists only
for few minutes.




Types of intermediate can be grouped into free
radicals, ions and polar substances, molecules,
transition complexes, non-chain reactions and
chain reactions
Temperature dependency on Arrhenius Law
For many reactions, and particularly elementary
reactions, the rate expression can be written as a
product of a temperature-dependent term and a
composition dependent term, or



This is practically well presented by Arrhenius Law


Temperature Dependent Term
Of Rate of Equation
At the same concentration, but at two different
temperatures, Arrhenius' law indicates that



Activation Energy and Temperature
Dependency
The temperature dependency of reactions is
determined by the activation energy and
temperature level of the reaction



Example problem
Milk is pasteurized if it is heated to
63
o
C for 30 min, but if it is heated to
74C it only needs 15 s for the same
result. Find the activation energy of this
sterilization process.