CHBE 551 Lecture 01 Chemical Kinetics and Catalysis MWF 11am 165 NL (some meetings in 213 RAL) 1

Faculty & TA 2 Wei Zhu 294 RAL, Prof. Rich Masel, 213 RAL,

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 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 6

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 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 Changes conversion by factor of 10 Changes conversion by factor of

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

Kolb Model For Learning Activities Qualitative Discussion Subjective Exams Open ended problems Independent research Field trips Group discussion Motivational Stories Homework problems Computer simulations Individual reports Quantitative exams Lectures Demonstrations by instructor Textbook reading 11 Equations Abstractions Information Experience DoingWatching

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 MWF – lecture Tutorials Sep 4, 18, Oct 2, 14, Nov 2, 18, Dec 7 Three-Four groups: 3:00, 3:30, 4:00, 4:30 Midterm Oct 5 Final 8–11 pm Fri., Dec 18 16

Organization Class will divide into 4-5 person squads Squads will work together on homework and hand in group assignments Squads will meet together with Masel for a 30 minute tutorial. (3:00, 3:30, 4:00, 4:30) Sep 4, 18, Oct 2, 14, Nov 2, 18, Dec 7 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 19 Chemical Kinetics and Catalysis Richard I Masel Wiley 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, 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 1.No whining 2.No whining 3.No whining 4.Chill out 23

Course Policies 5.Encouraged to work together on homework 6.Closed book/notes exams 7.Sample exam questions on the web 8.No whining 9.No presents 24

Misc Course Info Course notes will be available at Please download lect prior to class Exams will include essay questions, questions that require critical thinking e.g. compare and contrast … Memorization rather than derivation Sample exam questions will be on the website 25

Question Every Lecture What did you learn new in this lecture? 26