ChE 452
Chemical Kinetics and Catalysis
MWF 10 am 161 Noyes Lab
1
Faculty & TA
Prof. Rich Masel,
213 RAL,
r-masel@illinois.edu
Brian Rosen
204 RAL,
rosen5@uiuc.edu
2
Overview of Today's Lecture





Background
Course objectives
Organization
Requirements
Grading
3
Background

Chemical kinetics affects every day
life.


Determines how fast insects walk,
how quickly plants and animals grow
and even how fast hair grows on
your head.
Very important in chemical
processes.

Selectivity and activity of chemical
reactions determines how well
chemical processes work.
4

Major Application In Chemical
Industry
Chemical Reactor Design



Need kinetics to do reactor design
Need kinetics to do semiconductor process
design
Need kinetics to do drug design
5
Reactor Design: Need to Determine

Process chemistry





Reaction conditions



What reactions can lead to the desired products
What side reactions occur
What are the rates of the processes
Any safety issues?
Temperature, pressure
Catalysts, solvents
Contacting pattern




CSTR vs plug flow
Mixing issues
Heat transfer & pressure drop
Mathematical modeling
6
What Have You Learned So Far?

Process chemistry





Reaction conditions



What reactions can lead to the desired products
What side reactions occur
What are the rates of the processes
Any safety issues?
Temperature, pressure
Catalysts, solvents
Contacting pattern




CSTR vs plug flow
Mixing issues
Heat transfer & pressure drop
Mathematical modeling
7
What Have You Learned So Far?

Process chemistry





Reaction conditions



What reactions can lead to the desired products
What side reactions occur
What are the rates of the processes
Any safety issues?
Temperature, pressure
Catalysts, solvents
Changes conversion by
factor of 109- 1021
Contacting pattern




CSTR vs plug flow
Mixing issues
Heat transfer & pressure drop
Mathematical modeling
Changes conversion
by factor of 10
8
Course Objectives
Provide background, quantitative skills so you can
predict:
 Process chemistry





What reactions can lead to the desired products
What side reactions occur
What are the rates of the processes
Any safety issues?
Reaction conditions


Temperature, pressure
Catalysts, solvents
9
Course Objectives: II

Change from an
undergrad to a
professional


Tutorial style
Students responsible for
learning
10
Major Topics

Review of basic kinetics.


What are the key factors that determine
rates of reaction. Which effects are large,
which effects are small.
How can you measure rates?



Direct vs indirect measurements.
Pitfalls in data analysis.
Design of experiments.
11
Major Topics Continued

Prediction of rates.


Rate equations from mechanism.
Prediction of mechanism.


Quantitative methods to predict organic
chemistry.
Also gives side reactions, explosions.
12
Major Topics Continued
Prediction of rate constants
 Prediction of pre-exponentials



Review of stat mech
Transition state theory, collision theory,
RRKM
Prediction of activation energies


Polayni equation, Marcus equ, Blowers-Masel
Quantum methods
13
Major Topics Continued
Catalysis
 How do catalysts work?



Solvents as catalysts


Mechanisms of catalytic action
Kinetics of catalytic reactions
How do you choose a solvent to maximize
rates
Metal catalysts

What do they do, how do they work?
14
Class schedule

Tutorials – feb 5, feb 19, mar 5, april 9,
april 23, april 30.



Five groups: 10, 10:30, 3:30, 4:00 4:30
Midterm weds March 17
Final 8 am Tuesday may 11
15
Organization



Class will divide into 6-7 person squads
Squads will work together on homework
and hand in group assignments
Squads will meet together with Masel or
Zack for a 30 minute tutorial. (10:00,
10:30, 3:30, 4:00, 4:30) feb 5, feb 19,
mar 5, april 9, april 23, april 30
Please divide yourselves into squads today
and pick a time for a tutorial
16
Requirements



Midterm
Final
Homework almost every week


Each group should work together on
the assignment and hand in one
group report.
Tutorials
17
Textbook
Chemical Kinetics and
Catalysis
Richard I Masel
Wiley 2001
18
References





Principles of Adsorption and Reaction On
Solid Surfaces by Rich Masel
Comprehensive chemical kinetics. by C. H.
Bamford and C. F. H. Tipper.
Chemical kinetics and dynamics / Jeffrey I.
Steinfeld, Joseph S. Francisco, William L.
Hase.
Thermochemical kinetics Sydney W. Benson.
Statistics For Experimenters, Box, Hunter,
Hunter
19
Grading




Midterm 30%
Final 50%
Homework 10%
RIM Judgment 10%
20
My Grading Philosophy

I like to give A's – but students have to
earn them
21
Course Policies
1. No whining
2. No whining
3. No whining
4. Chill out
22
Course Policies
5. Encouraged to work
together on homework
6. Closed book/notes exams
7. Sample exam questions on
the web
8. No presents
9. No whining
23
Misc Course Info




Course notes will be available at
/http://www.maselclasses.com/che452/
Please download lect prior to class
Exams will include essay questions, questions
that require critical thinking e.g. compare and
contrast …
Sample exam questions will be on the website
24
Class Question

What did you learn new today?
25