| 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 | Problem set 1 due in session 3 |
| 5-8 | Experimental Kinetics
Experimental Techniques
Signal-to-noise Estimation
Dynamic Range
Data Analysis | Problem set 2 due in session 7 |
| 9 | Review of Thermodynamics and Statistical Mechanics | Problem set 3 due |
| 10 | In Class Exam | |
| 11-14 | Reaction Rate Theory
Potential Energy Surfaces
Introduction to Quantum Chemistry
Reaction Paths
Transition State Theory
RRKM Theory
Relation to Quantum Scattering
Pressure Dependence: Fall-off, Chemical-activation | Choose and review topics for semester project |
| 15-16 | Heterogeneous Reactions | Problem set 4 due in session 15 |
| 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 | Problem set 5 due in session 21 |
| 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 | |