CHBE 551 Lecture 01 Chemical Kinetics and Catalysis MWF 11am 165 NL (some meetings in 213 RAL) 1 Faculty & TA Prof. Rich Masel, 213 RAL, r-masel@illinois.edu Wei Zhu 294 RAL, werzhu2@illinois.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 Kolb Model For Learning Activities Information Experience Doing Qualitative Discussion Field trips Subjective Exams Group discussion Open ended problems Motivational Stories Independent research Homework problems Computer simulations Individual reports Quantitative exams Lectures Demonstrations by instructor Textbook reading Watching Equations Abstractions 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? 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? 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 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 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 http://www.maselclasses.com/che551/ 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