ChE 452

Chemical Kinetics and Catalysis

MWF 10 am 161 Noyes Lab

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Faculty & TA

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Brian Rosen204 RAL, rosen5@uiuc.edu

Prof. Rich Masel, 213 RAL,r-masel@illinois.edu

Overview of Today's Lecture

Background Course objectives Organization Requirements Grading

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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.

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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

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Reactor Design: Need to Determine

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

Contacting pattern CSTR vs plug flow Mixing issues Heat transfer & pressure drop Mathematical modeling

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What Have You Learned So Far?

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

Contacting pattern CSTR vs plug flow Mixing issues Heat transfer & pressure drop Mathematical modeling

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What Have You Learned So Far?

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

Contacting pattern CSTR vs plug flow Mixing issues Heat transfer & pressure drop Mathematical modeling

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Changes conversion by factor of 10

Changes conversion by factor of 109- 1021

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

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Course Objectives: II

Change from an undergrad to a professional Tutorial style Students

responsible for learning

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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.

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Major Topics Continued

Prediction of rates. Rate equations from mechanism.

Prediction of mechanism. Quantitative methods to predict organic

chemistry. Also gives side reactions, explosions.

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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

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Major Topics Continued

Catalysis How do catalysts work?

Mechanisms of catalytic action Kinetics of catalytic reactions

Solvents as catalysts How do you choose a solvent to

maximize rates Metal catalysts

What do they do, how do they work?

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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

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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

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Requirements

Midterm Final Homework almost every week

Each group should work together on the assignment and hand in one group report.

Tutorials

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Textbook

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Chemical Kinetics and CatalysisRichard I MaselWiley 2001

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,

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Grading

Midterm 30% Final 50% Homework 10% RIM Judgment 10%

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My Grading Philosophy

I like to give A's – but students have to earn them

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Course Policies

1. No whining2. No whining3. No whining4. Chill out

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Course Policies

5. Encouraged to work together on homework

6. Closed book/notes exams7. Sample exam questions

on the web8. No presents 9. No whining

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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

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Class Question

What did you learn new today?

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