Content

The course is composed of…

A: lectures covering the following topics:

1. Rates of chemical reactions

- Chemical kinetics; reaction types

- Rate of a reaction and associated rate coefficient

- Differential and integrated rate laws

- Reactions approaching equilibrium and relaxation

- Kinetics of complex reactions (catalysis, polymerization, chain reactions) and chemical reaction networks

- Potential energy surfaces and reaction path.

The importance of obtaining reaction rate coefficients is illustrated through various examples (atmospheric chemistry, astrochemistry, combustion, catalysis,…).

2. Molecular reaction dynamics in the gas phase

- Connection between cross section and rate coefficient

- Classical and semi-classical description of chemical reactions: collision theory, capture theory, motion on a potential energy surface, quasi-classical trajectory method, molecular dynamics, Landau-Zener model  

- Transition state theory (TST), applications, limitations, and extensions

- Molecular quantum dynamics: quantum theory of chemical reactivity and molecular collisions (time-dependent and time-independent approaches); chemistry in real time.

- Unimolecular reactions: photo-induced processes, isomerization, RRKM theory.

3. Dynamic processes in gases and liquids: diffusion, viscosity, thermal and electrical conductivity.

4. Reactions in the condensed phase

- Solvation effects

- Diffusion-controlled reactions

- Electron transfer reactions.

B: A short presentation by the students on an application of the concepts explained in the lectures (see also “Evaluation”).

C: Optional exercises (with solutions).

Course material

The detailed content of the lectures will be provided via Toledo.

Reference books and selected publications from the scientific literature will be provided for background and applications.