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Reaction Engineering

Introduction
By : Robiah
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Timetable
 Lectures
 1.5 hours
 Tutorials
 1 hour

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Resources
 Book
 O.Levenspiel: “Chemical Reaction Engineering”
 S.Fogler: “Elements of Chemical Reaction
Engineering”
 Lecture notes
 Inspired from both books
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Outline
 Introduction
 Importance of reaction engineering & reactor design
 Chemical Kinetics
 Rates, order, temperature effects, various theories of rates
 Analysis of Rate Equations
 Differential and integral methods
 Irreversible reactions
 Reversible reactions
 Parallel and series reactions
 Chain reactions
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Outline
 Reactor Design
 Types of reactor
 Design equations for each of them
 Design procedure
 Reactor configurations
 Design of multiple reactions
 Thermal effects
 Isothermal, non-isothermal, adiabatic
 Reversible and irreversible exothermic and endothermic
reactions
 Multiple reactions

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Outline
 Non-ideal Flow in Reactors
 Basics of non-ideal flow
 Conversions in non-ideal reactors
 Compartment models
 Dispersion models
 Tanks-in-series model
 Convection model for laminar flow
 Introduction to Heterogeneous Reacting Systems
 Rate equations and contacting patterns
 Non-catalytic fluid-particle reactions
 Solid catalysed reactions

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Assessment
 Projects:
 Project 1 - 10% (week 6)
 Project 2 - 20% (week 12)
 Mid-semester Quiz - 10% (week 8)
 Final Exam - 60% (exam period)


Note: weeks refer to Semester Weeks including weeks free
of contact!!!
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Project issues (1)
Project 1:
Topic: a rigorous semi quantitative review of the reactor
system for the manufacture of a given product
Delivery: oral presentation (8 min + 2 min for questions)
& a 3 page summary plus up to 2 pages of process flow-
sheeting


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Project issues (2)
Project 2:
Topic: a rigorous design of the reactor system for the
manufacture of the same chemical given in Project 1
Delivery: single final report submitted jointly by each
group

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The concept
 Reactor Design
- the heart of producing industrial chemicals
- requires fundamental knowledge of:
- Thermodynamics
- Fluid mechanics
- Heat transfer
- Mass transfer
- Economics and control
- Environment and safety
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Typical Chemical Process
Physical
treatment
steps
Chemical
treatment
steps
Physical
treatment
steps
Raw
materials
• pre-treatment • separations
• purifications
Products
REACTION ENGINEERING
Unit Operations
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Reactor Performance
Information needed to predict the reactor behaviour:
KINETICS
how fast things happen?
input output
CONTACTING
PATTERNS
how materials flow &
contact each other?
Output = f (input, kinetics, contacting) Performance equation
• very fast - equilibrium
• slow - rate, mass, heat
• flowing patterns
• contact
• aggregation etc.
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Classification of Reactions
Many ways of classification
Most useful - according to number & types of phases
Homogeneous: reaction takes place in 1 phase
Heterogeneous: reaction REQUIRES at least 2 phases
Phase = uniform P,T, Composition
According to the use / not use of catalyst
Noncatalytic
Catalytic
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Classification of Reactions
Homogeneous
Heterogeneous
Noncatalytic Catalytic
Most gas-phase reactions
Most liquid-phase rxs
Fast reactions such as
burning of a flame
Rxs in colloidal systems
Enzyme and microbial rxs
Burning of coal
Attack of solids by acids
Gas-liquid absorption
with reaction
Ammonia synthesis
Oxidation of ammonia
produce to nitric acid
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Reaction Rate Definition
• the rate at which a species looses its chemical identity per unit volume
 For fluid systems - based on unit volume of fluid / unit volume of reactor
(time) fluid) of (volume
formed i moles
dt
dN
V
r
i
i
= =
1
(time) reactor) of (volume
formed i moles
dt
dN
V
r
i
r
i
= = '
1
 For gas-solid systems - based on unit volume of solid
(time) solid) of (volume
formed i moles
dt
dN
V
r
i
S
i
= =
1
' '
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Reaction Rate Definition
 For 2 fluid systems / gas-solid system - based on unit interfacial surface
(time) (surface)
formed i moles
dt
dN
S
r
i
S
i
= =
1
 For fluid-solid systems - based on unit mass of solid
(time) solid) of (mass
formed i moles
dt
dN
W
r
i
w
i
= =
1
' ' '
i r i S
S
i
w
i i
r V r V Sr Wr V r = = = =
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Speed of Chemical Reactions
cellular rxs.
 water
treatment plants
human
at rest
working
hard
gases in porous
catalyst particles
10
-4
10
-3
10
-2
0.1 1 10
10
4

rocket
engines

r
i
''
=
moles of i disappearing
(m
3
of thing) (s)
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Reaction Rate – example 1
 The rocket engine:
• burning a stoichiometric mixture of fuel (lq. hydrogen & oxygen)
• Cylindrical combustion chamber: L=75cm, D=60cm
• Produces 108 kg/s exhaust gases
Reaction rate of
hydrogen and oxygen?
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Reaction rate – example 1
dt
dN
V
r
H
H
2
2
1
= ÷
dt
dN
V
r
O
O
2
2
1
= ÷
3
m L
D
V 2121 . 0 ) 75 . 0 (
4
) 6 . 0 (
4
2 2
= = =
t t
O H O H
2 2 2
2
1
÷ +
s kmol
kmol kg
s kg
O H
s
kg
/ 6
) / ( 18
) / ( 108
108
2
= =
?
s
kmol
used H 6 :
2
s
kmol
used O 3 :
2
s m
moles
s
kmol
r
H
·
× = = ÷
3
4
10 8 . 2
6
2121 . 0
1
2
s m
moles
s
kmol
r
O
·
× = = ÷
3
4
10 41 . 1
3
2121 . 0
1
2
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The Rate Equation / Stoichiometry

aA+ bB ÷cC+ dD
dt
dN
V
r
A
A
1
= ÷
rate of disappearance of A
dt
dN
V
r
C
C
1
=
rate of appearance of C
d
r
c
r
b
r
a
r
D C B A
= =
÷
=
÷
Relationship
between rates of
reaction
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Relationship between rates of reaction –
example 2
The reaction carried out in a reactor:

If at a particular point, the rate of disappearance of A is 10 mol/dm
3
/s, what
are the rates of B and C?
C B A 5 3 2 ÷ +
5 3 2
C B A
r r r
=
÷
=
÷
s dm
mol
s dm
mol r
r
A
B
·
=
·
=
÷
= ÷
3 3
15
2
10
3
2
3
s dm
mol
s dm
mol r
r
A
C
·
=
·
=
÷
= ÷
3 3
25
2
10
5
2
5
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Conc. / Temp. dependency terms
.) ., ( temp conc f r =
,...)] , ( )][ ( [
B A A
C C f T k r = ÷
Reaction rate
(constant)
Concentration
dependent terms
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Rate constant (k)
,...)] , ( [
B A A
C C f k r = ÷
Dimensions vary with order of reaction (n):
n
ion concentrat time
÷ ÷ 1 1
) ( ) (


Reaction order
(mol/m
3
)
C
A

(mol/m
3
)
(mol/m
3
)
(mol/m
3
.s)
(mol/m
3
.s)
(mol/m
3
.s)
-r
A
Rate law
(mol/m
3
)/s
k r
A
= ÷
A A
kC r = ÷
2
A A
kC r = ÷
1/s
(m
3
/mol)/s
zero
1
st
2
nd
k
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Concentration-dependent term
,...)] , ( [
B A A
C C f k r = ÷
Almost without exception determined by experimental observation!!!
Most common expression:
o | o
D B A A
C C kC r .... = ÷
Order of reaction:
A in order o
B in order |
order overall ... n = + + = | o
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Single / Multiple Reactions
 Single reaction – 1 equation & 1 single rate equation
 Multiple reactions – more than 1 rate equation needed
Series reactions:
S R A ÷ ÷
Parallel reactions:
R B A ÷ +
S B R ÷ +
A
R
S
R A÷
S B ÷
D C B A + ÷ +
competitive side by side series & parallel
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Elementary / Non-elementary Reactions
 Elementary reactions – iff stoichiometric coefficients are the same as the
individual reaction order of each species

 Non-elementary reactions – stoichiometry does not match the kinetics
D C B A + ÷ +
B A A
C kC r = ÷
stoichiometric coeff:
1 = = = = d c b a
1 = = | o
B A A
C kC r
2
= ÷
2 = o
1 = |
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