Ab 2. November 2020 findet das Herbstsemester 2020 online statt. Ausnahmen: Veranstaltungen, die nur mit Präsenz vor Ort durchführbar sind. Bitte beachten Sie die per E-Mail kommunizierten Informationen der Dozierenden.
Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
Lernziel
Introduction to statistical mechanics and thermodynamics. Prediction of thermodynamic and kinetic properties from molecular data.
Inhalt
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.
Skript
See homepage of the lecture.
Literatur
See homepage of the lecture.
Voraussetzungen / Besonderes
Chemical Thermodynamics, Reaction Kinetics, Molecular Quantum Mechanics and Spectroscopy; Mathematical Foundations (Analysis, Combinatorial Relations, Integral and Differential Calculus)
