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| 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 |
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| 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 |
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| 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 |
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| 25-26 |
Catalysis
Homogeneous and Heterogeneous Catalysis
Catalysis by Acids/Bases, Enzymes, Organometallics, Metals, Oxides |
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| 27-28 |
Presentation and Review of Semester Projects |
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