COURSE HANDOUT

B. Tech (Chemical Engineering) – 5th Semester

Course Title : Chemical Reactor Theory Dated: 24-06-2017

Course Code : CHEM3412 Academic Year: 2017-18
Course Structure : 3-1-0-4
Instructor : Dr.M.Gangadhar

Scope and objective:

The objective of this course is the successful design and operation of chemical reactors. It includes study of various
types of reactions and their kinetics. This course integrates knowledge from calculus, differential equations,
thermodynamics, general chemistry, and material and energy balances to solve reactor design problems, to examine
reaction rate data to determine rate laws, and to use them to design chemical reactors, and to design chemical reactors
with associated cooling/heating equipment.
Pre-requisites:
Engineering Chemistry (CHE1401), Mathematics-I (MATH 1401)

Course Outcome:
At the end of the course, the students will be able to:

1. Classify various reaction types and understand fundamentals of kinetics including definitions of rate and forms
of rate expressions.
2. Analyze and interpret experimental data from batch reactors and determine the order of simple chemical
reactions.
3. Design and compare the performance of ideal reactors (batch, CSTR and PFR).
4. Develop skills to choose the right reactor among single, multiple, recycle reactor etc. schemes
5. Determine optimal ideal reactor design for multiple reactions for yield or selectivity.
6. Predict reactor performance when the temperature is not uniform within the reactor.

SYLLABUS:
UNIT- I: KINETICS OF HOMOGENEOUS REACTIONS (9L+3T= 12 Hrs)
Classification of reactions, Rate equations of elementary and non-elementary reactions, variables affecting the rate of
reaction, reaction rate constant, reaction order and molecularity, reversible reactions, non-elementary reactions;
Concentration dependent term of rate equation, Temperature dependent term of rate equation, predictability of reaction
rate from theory.
UNIT-II: INTERPRETATION OF BATCH REACTOR DATA (14L+4T= 18Hrs)
Constant and variable volume reaction systems, integral and differential methods of kinetic analysis, half‐lives,
fractional life method – general procedure, irreversible unimolecular type first order, bimolecular type second order,
and trimolecular type third order reactions, empirical reactions of nth order, zero-order reactions, overall order of
irreversible reactions, irreversible reactions in series and parallel, Analysis of total pressure data obtained in a constant-
volume system, First and second order reversible reactions, reactions of shifting order, Biochemical Reaction systems
(Enzymatic reactions); Non‐elementary Homogeneous Reactions - reaction mechanisms, pseudo‐steady state
hypothesis, and search for a rate equation.

UNIT- III: ISOTHERMAL REACTOR DESIGN (9L+3T=12Hrs)

Ideal reactors for a single reaction - Ideal batch reactor, Steady-state mixed flow reactor, Steady-state plug flow
reactors; Design for single reactions - Size comparison of single reactors, Multiple reactor systems, Recycle reactor,
Autocatalytic reactions.

UNIT IV: DESIGN FOR MULTIPLE REACTIONS AND TEMPERATURE & PRESSURE EFFECTS
(13L+5T=18 Hrs)
Introduction to multiple reactions, qualitative discussion and quantitative treatment of product distribution and of
reactor size, Irreversible first order reactions in series, quantitative discussion about product distribution, quantitative
treatment - plug flow or batch reactor, mixed flow reactor, first-order followed by zero order reaction, zero order
followed by first order reaction.
Non-isothermal operation of reactors: Optimum temperature progression; Adiabatic and non-adiabatic batch, mixed
flow and plug flow reactors; Exothermic reactions in mixed flow reactors; Multiple reactions: Yield and selectivity.
Text Books:
1. O. Levenspiel, Chemical Reaction Engineering, 3rd ed. John Wiley & Sons, 2007.
Reference Books:
1. H. S. Fogler, Elements of Chemical Reaction Engineering, 4th ed., PHI, 2005.
2. K A Gavhane, Chemical Reaction Engineering – I, Nirali Prakashan, 2004.
3. K.G. Denbigh, J.C.R Turner, Chemical Reactor Theory: An introduction, Cambridge University Press, 3rd ed., 1984.
Course Plan:
Lecture Learning Objectives Topics to be covered Reference
No.
UNIT – I
1 To learn about various facets of Introduction to Chemical reaction T1, U1
Chemical reaction engineering engineering
2 To learn about various types of Classification of reactions, industrial T1, U1
reactions and reactors, and their reactions and reactors
industrial applications
3 To understand the concept of Definition of rate of reaction, variables T1, U1
reaction rate, and learn about the affecting the rate of reaction
variables affecting it
4 TUTORIAL – 1

5 To gain in-depth understanding of Reaction rate constant, reaction order T1, U1

reaction order and rate constant
6 To learn about elementary, Elementary reactions and molecularity, T1, U1
molecularity, and reversible reversible reactions
reactions
7 To learn about Non-elementary Non-elementary reactions T1, U1
reactions
8 TUTORIAL – 2
9 To understand the effect of Concentration and temperature T1, U2
concentration and temperature on dependent term of rate equation,
rate equation, Arrhenius theory Predictability of reaction rate from
theory
10 To predict reaction rate from Predictability of reaction rate from T1, U2
Collision theory theory – Collision theory
11 To predict reaction rate from Predictability of reaction rate from T1, U2
Transition state theory theory – Transition state theory
12 TUTORIAL – 3
UNIT – II
13 To collect and analyze rate data Collection and analysis of rate data - T1, U3
for constant and variable volume Constant and variable volume reaction
reaction systems systems
14 To analyze rate data by integral Integral method of kinetic analysis – T1, U3
method of kinetic analysis general procedure
15 To analyze rate data by Differential method of kinetic analysis T1, U3
differential method of kinetic – general procedure
analysis
16 TUTORIAL – 4
17 To analyze rate data by Half-life Half-lives, fractional life method – T1, U3
and fractional life method general procedure
18 To be able to find the rate Irreversible unimolecular type first T1, U3
expression for Irreversible order reactions, irreversible
unimolecular type first order, bimolecular type second order
second order, and third order
reactions, irreversible trimolecular type
reactions
third order reactions
19, 20 To find the rate expression for nth Empirical reactions of nth order, zero- T1, U3
order and zero-order reactions order reactions, overall order of
and overall order of irreversible irreversible reactions, irreversible
reactions; learn about irreversible
reactions in series and parallel
reactions in series and parallel
21 TUTORIAL – 5
22 To analyze the total pressure data Analysis of total pressure data
obtained in a constant-volume obtained in a constant-volume system
system
23 To find the rate expression for Constant volume batch reactor – first T1, U3
first-order and second-order order reversible reactions, second
reversible reactions in constant order reversible reactions
volume batch reactor
24 To find the rate expression for Reactions of shifting order T1, U3
reactions of shifting order
25 TUTORIAL – 6
26, 27 To understand the principle of Biochemical Reaction systems T1, U3
enzymatic reactions (Enzymatic reactions)
28, 29 To gain understanding of finding Non‐elementary Homogeneous T1, U3
reaction mechanisms for non- Reactions - reaction mechanisms,
elementary homogeneous pseudo‐steady state hypothesis, search
reactions
for a rate equation
30 TUTORIAL – 7
UNIT – III
31 Isothermal reactor design: Ideal Isothermal reactor design: Ideal T1, U4
reactors for a single reaction reactors for a single reaction
32 To be able to write the material T1, U5
balance equation for ideal batch Ideal batch reactor
reactor
33 To learn the concept of space Flow reactors – space time and space T1, U5
time and space velocity for flow velocity
reactors.
34 TUTORIAL – 8
35 To be able to write the material T1, U5
balance equation for steady-state Steady-state mixed flow reactor and
mixed flow reactor and plug flow plug flow reactor
reactor
36 To compare the size of single T1, U6
Size comparison of single reactors
reactor systems
37 To be able to design single T1, U6
Design for single reactions
reactor systems
38 TUTORIAL – 9
 39 To be able to design multiple Multiple reactor systems T1, U6
reactor systems
40 To learn the concept of recycling T1, U6
Recycle reactor
and recycle reactor
41 To learn the principles of T1, U6
Autocatalytic reactions
autocatalytic reactions
42 TUTORIAL – 10
UNIT – IV

43 To learn about multiple reactions Design for multiple reactions in T1, U8

and design in isothermal reactors
44 To gain the understanding of
product distribution and reactor
size in multiple reaction systems
45 To estimate the product
distribution for irreversible 1st
order reactions in series
46
isothermal reactors: Introduction to
multiple reactions
Qualitative discussion and quantitative T1, U8
treatment of product distribution and
of reactor size
Irreversible first order reactions in T1, U8
series, quantitative discussion about
product distribution
TUTORIAL – 11

47, 48 To estimate conversion in T1, U8

Quantitative treatment - Plug flow or
multiple reaction systems using
plug flow or batch reactor, mixed batch reactor, mixed flow reactor
flow reactor
49, 50 To estimate conversion in cases First-order followed by zero order T1, U8
such as First-order followed by reaction, zero order followed by first
zero order reaction, zero order order reaction
followed by first order reaction
51 TUTORIAL – 12
52 To understand non-isothermal Calculation of heat of reaction and T1, U9
operation of reactors equilibrium constants from
thermodynamics
53 To identify temperature Optimum temperature progression T1, U9
progression for optimum reactor
performance
54 TUTORIAL – 13
55 To understand adiabatic operation Adiabatic operations in mixed flow T1, U9
of mixed flow and plug flow and plug flow reactors
reactors
56 To understand exothermic Stable operating conditions in MFR T1, U9
reactions in mixed flow reactors
57 TUTORIAL – 14
 58 To understand non-isothermal Non-isothermal multiple chemical T1, U9
multiple chemical reaction reactions in PFR and MFR
behavior
59 To find out yield and selectivity Yield and selectivity T1, U9
in multiple reactions
60 TUTORIAL – 15

Evaluation Scheme:
Duration % of
Component Marks Date & Time Venue
(minutes) Weightage
Sessional Test – 1 90 20 20 31.07.2017 to 05.08.2017 Block-2
Sessional Test – 2 90 20 (Best 2 tests 11.09.2017 to 16.09.2017 Block-2
Sessional Test – 3 90 20 average) 23.10.2017 to 28.10.2017 Block-2
Comprehensive
20 10 10 23.10.2017 to 28.10.2017 Block-2
Quiz Exam
Semester End 06.11.2017 to 18.11.2017 Will be
180 70 70
Examinations informed

Chamber Consultation Hour: 4 PM (Monday – Friday)

Notices pertaining to this subject will be displayed in Chemical Engineering department notice board.

Signature of the Instructor Signature of the HOD