Chemistry 662 Chemical Kinetics and Dynamics

Transcription

1 Chemistry 662 Chemical Kinetics and Dynamics Fall 2011 COURSE SYLLABUS Instructor: Jörg C. Woehl Office Number: Chemistry Building Room 343 Office Hours: Open door Course web page: Desire2Learn (D2L) see handout for additional information Class Meeting Times: Tuesday and Thursday, 3:00 pm - 4:15 pm Class Location: Bolton Hall 293 First Day of Classes: September 6, 2011 Last Day of Classes: December 13, 2011 Final Exam: December 22, 2011 (Thursday), 12:30 pm 2:30 pm Course Prerequisites (U) Grade of C or better in CHM 562 (Physical Chemistry II) Course Description: This course is both an introduction to and advanced treatment of Chemical Kinetics. In contrast to pure lecture courses, we will make use of a computational programming environment (Matlab) in order to explore the foundations of chemical kinetics and use it as a tool for advanced simulations and problem solving. Policies and Grading: The course will be graded based on examinations and a research project. Some problem sets will be distributed during lectures and need to be turned in by certain due dates, although no grade will be given. Working on these problem sets will help you in preparing for the midterms and final exam; solutions to the homework assignments will be provided on the course web page. Of course, you are encouraged to do more problems from kinetics textbooks. One midterm exam (take-home) and one final exam (in class) will be given. The midterm exam will 1

2 count 35% towards the final grade. The final exam will count 45% towards the final grade. In addition, you will choose one kinetics-related research project during the second part of the semester. You will present the results from this project to the other students as a talk during the last class meeting times (Dec 8 and 13). The quality of this presentation will count 20% towards the final grade. Academic Misconduct: (from the Office of the Provost and Vice Chancellor) Academic misconduct is an act in which a student seeks to claim credit for the work or efforts of another without authorization or citation, uses unauthorized materials or fabricated data in any academic exercise, forges or falsifies academic documents or records, intentionally impedes or damages the academic work of others, engages in conduct aimed at making false representation of a student's academic performance, or assists other students in any of these acts. Prohibited conduct includes cheating on an examination; collaborating with others in work to be presented, contrary to the stated rules of the course; submitting a paper or assignment as one's own work when a part or all of the paper or assignment is the work of another; submitting a paper or assignment that contains ideas or research of others without appropriately identifying the sources of those ideas; stealing examinations or course materials; submitting, if contrary to the rules of a course, work previously presented in another course; tampering with the laboratory experiment or computer program of another student; knowingly and intentionally assisting another student in any of the above, including assistance in an arrangement whereby any work, classroom performance, examination or other activity is submitted or performed by a person other than the student under whose name the work is submitted or performed. Required Text: MATLAB Student Version; available in the UWM bookstore Supplemental Text: J. I. Steinfeld, J. S. Francisco, and W. L. Hase, Chemical Kinetics and Dynamics, 2 nd ed., Prentice Hall, Upper Saddle River, NJ (1999). Call Number QD502.S Other Supplemental Texts (available in the Golda Meir Library): General Physical Chemistry Texts Author Title Publisher Location - Year McQuarrie, D. Physical Chemistry : A University A. Molecular Approach Science Books Simon, J. D. Levine, I. N. Physical Chemistry McGraw-Hill 1978 Call Number 1997 QD453.2.M QD453.2 L48 2

3 Author Title Publisher Location - Year Berry, R.S. Physical Chemistry Wiley Rice, S. A Ross, J. Moore, W.J. Ladd, M. F. C. Lee, W.H. Physical Chemistry, 4th ed. Introduction to Physical Chemistry Prentice-Hall Cambridge University Press Englewood Cliffs, N.J Call Number QD453.2 B48 QD453.2 M65 QD453.2 L Freifelder, D. Principles of Physical Chemistry, with Applications to the Biological Sciences Jones and Bartlett Boston 1985 QD453.2 F Chemical Kinetics Texts Laidler, K.J. Chemical Kinetics McGraw Hill 1965 QD501 L Houston, P.L. Chemical Kinetics and Reaction Dynamics McGraw-Hill Dubuque, IA 2001 QD502.H Hammes, G. G. Amdur, I. Principles of Chemical Kinetics 1978 QD502 H35 Hammes, G. G. Thermodynamics and Kinetics for the Biological Sciences Wiley- Interscience 2000 QP517.P49 H Mathematical References McQuarrie, D. A. Arfken, G. B. Mathematical Methods for Scientists and Engineers Mathematical Methods for Physicists University Science Books Herndon, VA, QA37A Weber, H. Arfken, G. Essential Mathematical Methods for Physicists Elsevier/

4 Tentative Course Schedule: Week Topic Comments 1 Sep 5 Sep 9 Introduction to Matlab 2 Sep 12 Sep 16 Basic Concepts of Chemical Kinetics 3 Sep 19 Sep 23 First- and Second-Order Reactions 4 Sep 26 Sep 30 5 Oct 3 Oct 7 6 Oct 10 Oct 14 7 Oct 17 Oct 21 Third-Order Reactions Determination of Reaction Orders Arrhenius Eqn. Complex Reactions: Reversible and Consecutive Reactions Complex Reactions: Parallel Reactions Single Molecule Kinetics Steady-State Approximation The Hydrogen-Bromine Reaction 8 Oct 24 Oct 28 Laplace Transform Method 9 Oct 31 Nov 4 Matrix Algebra Numerical Methods 10 Nov 7 Nov 11 Stochastic Approach Midterm (take-home): Nov Nov 14 Nov 18 Kinetic Measurements 12 Nov 21 Nov 25 Catalysis 13 Nov 28 Dec 2 Enzyme Kinetics 15 Dec 5 Dec 9 16 Dec 12 Dec 16 Autocatalysis Potential Energy Surfaces No Class on Nov 24 (Thanksgiving Recess) Research Project Talk: Dec 8 Research Project Talk: Dec 13 4

5 Week Topic Comments Final Exam Period: December FINAL EXAM IS COMPREHENSIVE! Final Exam: Dec 22 (Thursday), 12:30 pm 2:30 pm 5