Entry requirements

120 credits including 90 credits Chemistry or Physics, Chemical Bonding and Computational Chemistry 10 credits, Statistical Thermodynamics 5 credits or equivalent.

Learning outcomes

After completion of the full course the student should be able to:

• Explain and discuss common theoretical models describing molecular collision- and reaction dynamics as well as microscopic kinetics.
• Describe common experimental methods and their limitations in studies, in studies of fast chemical processes and perform adequate analysis of experimental data.
• Explain and discuss common models for collision controlled reactions in the gas phase and diffusion controlled reactions in the liquid phase, and solve theoretical and numerical problems using relevant theory.
• Discuss the diffusion concept from a thermodynamic and statistical starting point and use relevant quantitative expressions to calculate diffusion constants.
• Use statistical thermodynamics to explain the activated complex theory
• Discuss and qualitatively analyse chemical dynamics from the potential energy context.
• Explain electron- and proton transfer reactions vibrational energy transfer and relaxation and solve related theoretical and numerical problems on a basic level.

Content

Unimolecular reaction dynamics, collision theory, RRKM,diffusion controlled reactions, activated complex theory, Boltzmann distribution, Potential energy surfaces, adiabatic and non-adiabatic reactions, Wave packets, ultra-fast processes, electron- and proton transfer, IVR, Landau-Zener crossings.

Instruction

Lectures, problem solving classes, demonstrations and laboratory exercises.

Assessment

Written examination at the end of the course (4 HE credits)The laboratory course corresponds to 1 HE credit.