| LEC # | TOPICS | LECTURE NOTES |
|---|---|---|
| 1-4 |
Elementary Kinetics Introduction Elementary Steps, Steady State Approximation, Transform Methods Numerical Solution of Differential Equations Use of CHEMKIN® and Similar Software Equilibrium Literature Sources of Thermo, Kinetics |
Numerical Solution to Kinetic Equations (PDF 1) (PDF 2) |
| 5-8 |
Experimental Kinetics Experimental Techniques Signal-to-noise Estimation Dynamic Range Data Analysis |
|
| 9 | Review of Thermodynamics and Statistical Mechanics | |
| 10 | In Class Exam | |
| 11-14 |
Reaction Rate Theory Potential Energy Surfaces Intro to Quantum Chemistry Reaction Paths Transition State Theory RRKM Theory Relation to Quantum Scattering Pressure Dependence: Fall-off, Chemical-activation |
A Short Summary of Quantum Chemistry (PDF) |
| 15-16 | Heterogeneous Reactions | Catalysis Notes (PDF) |
| 17-18 |
Practical Methods for Predicting Kinetics and Thermodynamics Functional Groups Group Additivity, Reaction Families |
|
| 19-22 |
Handling Large Kinetic Models Sensitivity Analysis, Uncertainty Propagation Kinetic Model Reduction Range of Validity of Kinetic Models Computer Construction of Chemical Kinetic Models Example: Atmospheric Chemistry Models |
Kinetic Model Completeness (PDF) |
| 23-24 |
Reactions in Solution Liquid Phase Reactions Solvent Effects |
|
| 25-26 |
Catalysis Homogeneous and Heterogeneous Catalysis Catalysis by Acids/Bases, Enzymes, Organometallics, Metals, Oxides |
|
| 27-28 | Presentation and Review of Semester Projects |