University of Cologne
Faculty of Mathematics and Natural Sciences
Institute of Physical Chemistry

divider Group of Prof. Dr. Ulrich K. Deiters

Thermodynamics and
Statistical Thermodynamics

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ulrich.deiters@uni-koeln.de
May 22, 2018

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3D-view of a simulation ensemble

Research topics:

Calculation of intermolecular interaction potentials with quantum mechanical methods

Calculation of thermodynamic properties from interaction potentials by computer simulation

Development of equations of state for fluid (= gaseous, liquid oder supercritical) pure substances and mixtures

Calculation of all thermodynamic properties of fluid pure substances or mixtures : pVT relations, caloric data, speed of sound, phase equilibria (vapour-liquid, liquid-liquid, solid-fluid, gas-gas)

Theorie of phase diagrams, topological classification (“global phase diagrams”)