Chemical Engineering Chemical Reaction Engineering: Gate - Psu

Revised Study
Material
For
GATE PSU
Chemical Engineering
Chemical Reaction Engineering
GATE Syllabus
Theories of reaction rates; kinetics of homogeneous

reactions, interpretation of kinetic data, single and
multiple reactions in ideal reactors, non-ideal reactors;
Residence time distribution, single parameter model;
non-isothermal reactors; kinetics of heterogeneous
catalytic reactions; diffusion effects in catalysis.
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TABLE OF CONTENTS
Chapter 1
INTRODUCTION
1.1
1.2
1.3
1.4
1.5
1.6
1.7
1.8
1.9
Introduction
Types of Chemical Reactions
Rate of Chemical Reaction
Relative Rate of Reaction
Factors Affecting the Rate Equation
Reaction Mechanism
Molecularity
Order of Reaction
Rate Constant
1.9.1 Arrhenius Theory
1.9.2 Collision Theory
1.9.3 Transition State Theory
2
2
2
3
3
4
4
5
5
6
7
7
8
Chapter 2
HOMOGENEOUS SYSTEM
11
11
12
12
13
13
14
15
17
17
18
20
22
26
27
28
28
29
DESIGN EQUATION
31
31
32
33
35
2.1 Constant Volume System

2.2 Rate Equation for Different Order of Reactions
2.2.1 Zero Order Reaction
2.2.2 First Order Reaction
2.2.3 Second Order Reaction
2.2.4 Third Order Reaction
2.3 Half Life Method
2.4 Rate Equation for Multiple Reactions
2.4.1 Parallel Reactions
2.4.2 Series Reactions
2.5 Reversible Reaction
2.6 Auto Catalytic Reaction
2.7 Variable Volume System
2.7.1 Rate Equation for Different Order of Reactions
2.7.1.1 Zero Order Reaction
2.7.1.2 First Order Reaction
2.7.1.3 Second Order Reaction
Chapter 3
3.1 Ideal Batch Reactor
3.2 Flow Parameters
3.3 Ideal CSTR
3.4 Ideal PFR
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Chapter 4
MULTIPLE REACTOR SYSTEM

4.1
4.2
4.3
4.4
4.5
CSTR in Series
CSTR in Parallel
PFR in Series
PFR in Parallel
Two Different Type of Reactors in Series
39
39
40
40
41
43
Chapter 5
DESIGN OF MULTIPLE REACTION SYSTEM

5.1 Parallel Reactions
5.2 Quantitative Treatment of Product Distribution
5.3 Series Reactions
47
47
49
51
Chapter 6
NON IDEAL FLOW REACTORS

6.1 RTD Measurement
6.1.1 Pulse Input Experiment
6.1.2 Step Input Experiment
6.2 Mean Residence Time
6.3 RTD in Reactors
6.3.1 In CSTR
6.3.2 In PFR
6.4 Reactor Modeling
55
56
56
57
59
62
62
63
64
Chapter 7
EFFECT OF TEMPERATURE AND PRESSURE
7.1 Heat of Reaction

7.2 Equilibrium Constant
7.3 Equilibrium Conversion
65
65
66
66
7.4 Van Hoff Equation

7.5 Relation Between Temperature and Conversion
67
67
7.5.1 For Adiabatic Process

7.5.2 For Non-adiabatic Process
67
68
Chapter 8
HETEROGENEOUS SYSTEM
8.1 Non Catalytic Reaction System

8.1.1
8.1.2
8.1.3
8.1.4
ii
Rate Equation
Rate Controlling Concept
Rate Equation for Physical Absorption
Rate Equation for Absorption with Chemical Reaction
70
70
70
71
72
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8.1.5 Hatta Number

8.2 Catalytic Reaction System
75
75
8.2.1 Steps of Catalytic Reaction

8.2.2 Rate Equation for Pore Diffusion and Surface Reaction
8.2.3 Effectiveness Factor
8.2.4 Characteristic Length
8.2.5 Thiele Modulus
8.2.6 For Strong Pore Diffusion Resistance
8.3 Effective Diffusivity
8.4 Design Equation for Reactors Containing Porous Catalyst
76
77
79
80
81
81
82
83
8.5 Activity of Catalyst

8.6 Deactivation of Catalyst
84
84
Chapter 9
LEVEL 1
LEVEL 2
86
106
UNSOLVED QUESTIONS
127
QUESTIONS (2004 TO 2015)
139
139
142
145
147
150
154
156
157
159
161
163
165
SOLUTIONS
167
Chapter 10
Chapter 11
2004
2005
2006
2007
2008
2009
2010
2011
2012
2013
2014
2015
Chapter 12
iii
CHAPTER
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HOMOGENEOUS SYSTEM
2.1 CONSTANT VOLUME SYSTEM

The chemical reaction systems in which the volume of reacting fluid remain constant or
have on slightly changes throughout the reaction are called Constant Volume Systems
or Constant Density Systems.
The rate of disappearance of reactant A is
1
Ci =
Ni = Ci.V
=
=
1 ( .)
For constant volume second term is zero

=
FRACTIONAL CONVERSION OF A
=
=
Moles of A reacted = N AO X A
Material balance
A unreacted
= A initially fed A reacted
N A N AO N AO X A
N A N AO 1 X A
11
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CA
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N A N AO 1 X A
V
V
C A C AO 1 X A
FOR A CHEMICAL REACTION

aA bB cC dD
Moles of A reacted = NA0XA

moles of B reacted =
b
mole of A reacted
a
Similarly moles of C formed

c
N C = N co N AO X A
a
c
N co N AO X A
N
a
Cc= c =
V
V
c
Cc= Cco + C AO X A
a
C D = C DO + d / a C A0 X A
FOR FLOW SYSTEM

For the flow system concentration is defined as the ratio molar flow rate and volume
of the system.
C A FA / V
FA FAO 1 X A
C A C AO 1 X A
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2.2 RATE EQUATION FOR DIFFERENT ORDER OF REACTIONS
2.2.1 ZERO ORDER REACTION

For any zero order reaction having rate constant k
K
P
A
The rate of reaction is
= 0 =
= 0
0 =
In terms of conversion
=
2.2.2 FIRST ORDER REACTION
The first order liquid phase reaction having rate constant k
K
P
A
The rate of disappearance of component A is

=
= =
Where n = 1 for first order

Integrate both sides

= 0
ln(0 / ) =
1
ln (1 ) =
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Where CA0 and CA are initial and final concentration of reactant A
2.2.3 SECOND ORDER REACTION

Case 1: The second order reaction with single reactant
K
2A
P
= 2
= 0
1
1
=

1
(
)
CAo 1
=
Case 2: Second order reaction with two reactants A and B
K
P
A + B
dCA
KCACB
Let M = CB 0 / CA0
dt
where M be the molar ratio
rA
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2.2.4 THIRD ORDER REACTION

K
P
3A
dC
rA A kC A3
dt
dC
A kdt int egrate both sides
C A0
1 1
1
2 2 kt
2 C A C A0
1
1
2 kt = 2 2
C A C A0
Similarly,
For nth order reaction
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2.3 HALF LIFE METHOD

The half life is the time required for 50% conversion or to reduce concentration to half
of its initial concentration
The reaction order & rate constant of a reaction can be determined from the data of
half life of reaction as a function of initial concentration.
t1/2
n 1
C1Ao n
k (n 1)
t1/2 C1Ao n
t1/ 2 1st order
t1/2 (S)
ln(CAo/ CA)
CAo- CA
-ln(1-XA)
CAoXA
1
1
(
)
1
0.693/k
2
1
.
Kt mol / m3s
1
0
2
Where t1/2 = Half life time
0.693
K
when =
Kt mol / m2s
Example 2.1 The half life of a first order liquid phase reaction is 30 sec, than rate const
(k) in min-1 is
(a) 0.0231
(b) 0.602
(c) 1.386
(d) 2
Solution:
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For first order reaction we know,

0.693
k
0.693 0.693
k
t1 / 2
30 / 60
t1 / 2
k 1.386 min 1
Example 2.2 For a certain reaction A B, rate is first order if C A = low, rate is zero
order if C A =High. Possible expression for such case:
K1C A2
(a) rA =
1 K 2C A
(b) rA
K1C A2
1 K 2C A
K C2
1 A
(c) rA
1 K C
2 A
K 1C A
(d) rA
1 K 2C A
Example 2.3 The liquid phase reaction being carried out in a constant volume batch
reactor, k = 0.01 s-1, C A0 1 mol / m3 , t =100 sec than CA=?
(a )
1
mol / m 3
e
(b) 2.3 mol / m3
(c) e mol / m3
P , t1 / 2
Example 2.4 For the liquid phase reaction, A
(a) 1.5
(b) 1
(c) 0.5
(d ) 0.1 mol / m3
1
CAo
n?
(d) -1.5
Solution:
for nth order reaction we know,
t1 / 2 C 1Ao n
1/2
t1 / 2 C 1Ao n C Ao
n 1.5
2.4 RATE EQUATION FOR MULTIPLE REACTIONS

2.4.1 Parallel Reactions/competing reaction
The reactant A undergoes two simultaneous reaction giving product R and S
17
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rS k 1
rR k 2
Knowing both slopes, we get the value of individual rate constant
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For more details
19
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Revised Study

Theories of reaction rates; kinetics of homogeneous

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CHEMICAL REACTION ENGINEERING

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2.1 Constant Volume System

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CHEMICAL REACTION ENGINEERING

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MULTIPLE REACTOR SYSTEM

DESIGN OF MULTIPLE REACTION SYSTEM

NON IDEAL FLOW REACTORS

EFFECT OF TEMPERATURE AND PRESSURE

7.1 Heat of Reaction

7.4 Van Hoff Equation

7.5.1 For Adiabatic Process

8.1 Non Catalytic Reaction System

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8.1.5 Hatta Number

8.2.1 Steps of Catalytic Reaction

8.5 Activity of Catalyst

QUESTIONS (2004 TO 2015)

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CHEMICAL REACTION ENGINEERING

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2.1 CONSTANT VOLUME SYSTEM

For constant volume second term is zero

= A initially fed A reacted

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FOR A CHEMICAL REACTION

Moles of A reacted = NA0XA

Similarly moles of C formed

FOR FLOW SYSTEM

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2.2 RATE EQUATION FOR DIFFERENT ORDER OF REACTIONS

2.2.1 ZERO ORDER REACTION

The rate of reaction is

The rate of disappearance of component A is

Where n = 1 for first order

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Where CA0 and CA are initial and final concentration of reactant A

2.2.3 SECOND ORDER REACTION

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2.2.4 THIRD ORDER REACTION

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2.3 HALF LIFE METHOD

t1/ 2 1st order

Where t1/2 = Half life time

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For first order reaction we know,

(b) 2.3 mol / m3

2.4 RATE EQUATION FOR MULTIPLE REACTIONS

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Knowing both slopes, we get the value of individual rate constant