CHEE 321: CHEMICAL REACTION ENGINEERING

(Fall 2009)
INSTRUCTOR
Dr. Robin Hutchinson
Room 426, Dupuis Hall
robin.hutchinson@chee.queensu.ca
http://www.chemeng.queensu.ca/courses/CHEE321/

About Me
Research Interest: Polymer REACTION ENGINEERING
Polymerization kinetics and mechanisms
Mathematical modeling of processes used to produce polymers for
automotive coatings, diapers, hairspray, pharmaceutical capsules,
beverage stabilization,

B.Eng. from McMaster University, PhD

from University of Wisconsin-Madison
9 years working in industry (DuPont in
USA and Europe) before coming to
Queens in 2000

Typical Chemical Process

Recycle of reactants

RAW
MATERIAL

P
U
R
I
F
I
C
A
T
I
O
N

REACTOR

S
E
P
A
R
A
T
O
R

PRODUCT

Undesirable
byproducts

Chemical Reaction Engineering (CRE)

What is Chemical Reaction Engineering?
CRE deals with chemically reactive systems of engineering
significance.
Chemical reaction engineering is the discipline that quantifies
the interactions of transport phenomena and reaction kinetics
in relating reactor performance to operating conditions and
feed variables.

(Source: ISCRE website)

Why Chemical Reaction Engineering (CRE)??

CRE is needed in the development of new and the improvement of existing

technologies.
search for alternative processes to replace old ones
novel reactors (use of metallocene catalysts to produce new HDPE/PP materials)

find routes to make a product from different feedstock

novel processes for synthesis-gas production
Hydrocarbon production from syn gas
Biodiesel production
Polymers produced from renewable feedstocks

reduce/eliminate unwanted byproducts, intermediates, solvents, etc

Reduced solvent content in paints
NOx reduction

CRE is perhaps the key course that differentiates Chemical Engineering &
Engineering Chemistry from other engineers

CRE Application -Ethylene Production

Ethylene is used for manufacturing polyethylene the world's most widely used plastic
NOVA Chemicals and Dow Chemical at Joffre
The highest capacity of any ethylene production site
in the world.
largest single ethane based cracker in the world.

C2 H6 C2 H4 + H2
(High-temperature tubular reactors)

Picture Source: Linde website

Ethylene Low Density Polyethylene

Monomer
Feed
Initiator
Feed

- A multi-zone Autoclave is a vertical cylindrical

vessel with large L/D of 10-20. The reaction
mixture is intensely mixed by a stirrer shaft.
- Reactor is divided into separated reaction zones.
- Reactor (and each zone) is considered as wellmixed CSTR in perfect mixing model approach.
- Imperfect mixing of initiator feed can occur due
to very fast initiator decomposition rate, despite
intense agitation

Polymer and
Unreacted
Monomer

CRE Application - SMOG Modeling

Allows us to estimate the
extent of smog formation ...

CRE Application:
Large-scale growth of Stem Cells
The challenge is to grow
large quantities of viable
cell.

CRE Application: Pharmacokinetics

CRE can be applied to describe

humanbody-drug interaction

http://habanero.ibme.wustl.edu/PK-model.jpg

What do we expect to learn in the

Chemical Reaction Engineering course ??
In CRE, we will develop a general methodology useful in
approaching a variety of systems
chemical (e.g. chemical production, pollution abatement)
polymers
biochemical and biological (e.g. enzyme growth, stem cell growth)
electrochemical (e.g. fuel cells)
ecological
where engineering of reactions is needed

Chemical Kinetics & Chemical Reactor Design

will be at the core of this course

Whats involved in reactor design ?

Heat
Transfer

Mass
Transfer

Fluid
Mechanics

REACTANT(S)

PRODUCT

REACTOR
(Ethane)

(Ethylene)

Thermodynamics

Reaction
Kinetics

Our approach to reactor design

Reactors are complex beasts

Temperature is not uniform and/or constant

Multiple reactions almost always occur
Flow patterns are complex
Many reactors involve multiple phases
Reaction mechanisms and reaction kinetics are never perfectly known
Feedstock quality and product specs often change

Reaction engineering involves design of reactors and

selection of operating conditions using the best knowledge
available
To gain an insight into basic concepts relevant to reactor
design, we will first consider simplified and/or ideal reactor
systems
Isothermal operation of ideal reactors
Single reaction, single phase

Course (Basic Content) Organization

Isothermal, Ideal Reactor (Single Reaction) Design
Mole Balance

Rate Law

Design Algorithm

In Out + Con = Acc

FA,in-FA,out+(rA)V = dCA/dt

(rA) = kCAn
Reversible rxns

1. GMBE, 2. Rate Law

3. Stoich 4.Combine

Analysis of Rate law

Output
Reactor Volume
Reaction Time

Conversion

Kinetics: How to obtain k and rxn order

Multiple Reactions

Product Composition
(purity, byproducts,)

Reaction Pathways
Selectivity, Yield

Non-Isothermal Reactor Design

Energy Balance
Heat Transfer Rate
Equilibrium Reactions
Multiple Steady State

dT/dz = ?
Tin-Tout =?

Output
Temperature Profile
Heat Removal
Heating Requirement

CHEE 321 - TEXTBOOKS/RESOURCES

Course Textbook
Elements of Chemical Reaction Engineering
by H.Scott Fogler, 4th Edition, Prentice Hall
Accompanying Resource: CD-ROM
Summary Notes
Interactive Computer Modules
Solved Problems - Thoughts on Problem Solving

A lot of other reaction engineering textbooks are available

Chemical Reaction Engineering
by Octave Levenspiel, 3rd Edition, Wiley & Sons
An Introduction to Chemical Engineering Kinetics & Reactor Design
by C.G. Hill, Wiley & Sons

EVALUATIONS
Grading (Tentative)
Mid-term (CLOSED BOOK)
Assignments (4-6 throughout the semester)
Design Project
Final (Open Book)
Total

20%
15%
25%
40%
100%

Practice Problems and Assignments posted for every module

Assignments can be completed in pairs (two people to one assignment)
Check the website regularly!

Department policy: You must pass the individual component of the

course (midterm+final) to pass the course
Midterm tentative date: evening of Tuesday 27Oct

321 Design Project

An examination of the reactor section of a process to produce biodiesel

from vegetable oil (this years 470 design project)
Uses the same design software as in 470 (Hysys)

You come up with some design alternatives, decide what criteria to use
in order to compare designs ($$$), optimize each design alternative,
and provide a recommendation as to which configuration is best.

Some 321 lectures later in the semester will cover material important
to design (economics, safety, the design process, ) not treated in
other courses.
Hysys tutorials starting in Week 4
Project will be due in Week 9 or Week 10 of the semester

Projects will be done in groups of 4 students, assigned according to

your 360 workshop sections

Teaching Assistants
Michael Fitzpatrick
Eric Hardjo
Devon Lehrer (design project TA)
Duties:
Marking assignments / midterm
Running tutorials
Office hours / student help

On learning and securing good marks

In this course, emphasis is placed on deep understanding and
learning.
Understanding of basic concepts and problem solving skills will
be promoted.
Assessment will be based on demonstrated ability to apply basic
concepts to effectively solve a problem using the language of
engineers mathematics.

Check the website for course notes and other

announcements
http://www.chemeng.queensu.ca/courses/CHEE321/