ChE 452

1. ChE 452 Chemical Kinetics and Catalysis MWF 10 am 161 Noyes Lab

2. Faculty & TA Brian Rosen 204 RAL, rosen5@uiuc.edu Prof. Rich Masel, 213 RAL, r-masel@illinois.edu

3. Overview of Today's Lecture • Background • Course objectives • Organization • Requirements • Grading

4. 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.

5. 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

6. 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

7. 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

8. 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 Changes conversion by factor of 109- 1021 Changes conversion by factor of 10

9. 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

10. Course Objectives: II • Change from an undergrad to a professional • Tutorial style • Students responsible for learning

11. 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.

12. Major Topics Continued • Prediction of rates. • Rate equations from mechanism. • Prediction of mechanism. • Quantitative methods to predict organic chemistry. • Also gives side reactions, explosions.

13. 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

14. 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?

15. 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

16. 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

17. Requirements • Midterm • Final • Homework almost every week • Each group should work together on the assignment and hand in one group report. • Tutorials

18. Textbook Chemical Kinetics and Catalysis Richard I Masel Wiley 2001

19. 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

20. Grading • Midterm 30% • Final 50% • Homework 10% • RIM Judgment 10%

21. My Grading Philosophy • I like to give A's – but students have to earn them

22. Course Policies • No whining • No whining • No whining • Chill out

23. Course Policies • Encouraged to work together on homework • Closed book/notes exams • Sample exam questions on the web • No presents • No whining

24. 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

25. Class Question • What did you learn new today?