The spring semester 2021 will certainly take place online until Easter. Exceptions: Courses that can only be carried out with on-site presence. Please note the information provided by the lecturers.
Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
Objective
Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
Content
Basics of statistical mechanics and thermodynamics of classical and quantum systems. Concept of ensembles, microcanonical and canonical ensembles, ergodic theorem. Molecular and canonical partition functions and their connection with classical thermodynamics. Translational, rotational, vibrational, electronic and nuclear spin partition functions of gases. Determination of the equilibrium constants of gas phase reactions. Transition state theory and its connection with collision theory. Description of ideal gases and ideal crystals.
Lecture notes
See homepage of the lecture.
Literature
See homepage of the lecture.
Prerequisites / Notice
Chemical Thermodynamics, Reaction Kinetics, Molecular Quantum Mechanics and Spectroscopy; Mathematical Foundations (Analysis, Combinatorial Relations, Integral and Differential Calculus)
