Welcome to Prof. Roussel's Chemistry 4000/5000/7001

Foundations of Chemical Kinetics

Lecture slides and readings

Date Lecture slides Textbook readings
Sept. 7 Review of basic concepts in kinetics Sections 1.1, 1.2, 1.5
Sept. 10 The single-particle time-independent Schrödinger equation
Sept. 12 Moving on from the single particle
Sept. 14 Time dependence in quantum mechanics
Sept. 17 The Boltzmann distribution Section 10.6.1, Appendix 1
Sept. 19 Further studies of the Boltzmann distribution
Sept. 21 Statistical treatment of equilibrium
Sept. 21 Simple collision theory Section 8.1.1
Sept. 24 Generalizing collision theory Sections 6.1, 6.2 and 8.1.2
Sept. 26 Introduction to potential energy surfaces Sections 7.1, 7.5, 7.6, 7.9, 7.10
Sept. 28 Experimental chemical dynamics Sections 9.1, 9.2
Oct. 1 Transition-state theory: The thermodynamic formalism Sections 10.2, 10.5
Oct. 3 Transition-state theory: Examples Sections 10.6.2, 10.6.4
Oct. 5 Transition-state theory: Evaluation Sections 10.4, 10.10
Oct. 15 Variational transition-state theory and the fate of the products Sections 9.4, 10.8
Oct. 17 Unimolecular reactions in the gas phase: The Lindemann mechanism Section 2.2.1 and pages 324–326, 334–336
Oct. 19 Unimolecular reactions in the gas phase: Lindemann-Hinshelwood theory Pages 336–338
Oct. 22 Unimolecular reactions in the gas phase: RRK theory Section 11.5 and my notes on RRK theory
Oct. 24 Unimolecular reactions in the gas phase: RRKM theory Sections 11.6–11.8 and 11.11
Oct. 26 The master equation Pages 282–286
Oct. 29 Master equations and rates of reaction
Oct. 31 The chemical master equation Roussel and Zhu (2007), section 2
Nov. 5 The chemical master equation: Stationary distributions
Nov. 7 Relationship between the chemical master equation and mass-action kinetics
Nov. 9 The Gillespie stochastic simulation algorithm Gillespie (1977)
Nov. 19 Diffusion
Nov. 21 Further developments of diffusion theory Section 4.2.1
Nov. 23 Diffusion-influenced reactions, Part I Sections 4.2.2 and 4.3
Nov. 26 Diffusion-influenced reactions, Part II Section 4.4
Nov. 28 Transition-state theory in the solution phase Sections 12.1.1, 12.1.2
Nov. 30 Kramers theory Section 12.2
Dec. 3 Heterogeneous kinetics: Gases and surfaces Sections 12.3.1 and 12.3.4

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