Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
Learning 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. Quantum statistics. Translational, rotational, vibrational, electronic and nuclear spin partition functions of gases. Determination of the equilibrium constants of gas phase reactions. Description of ideal gases and ideal crystals. Lattice models, mixing entropy of polymers, and entropic elasticity.
Lecture notes
See homepage of the lecture.
Literature
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Prerequisites / Notice
Chemical Thermodynamics, Reaction Kinetics, Molecular Quantum Mechanics and Spectroscopy; Mathematical Foundations (Analysis, Combinatorial Relations, Integral and Differential Calculus)
Performance assessment
Performance assessment information (valid until the course unit is held again)
Performance assessment as a semester course