Head of group: Dr. Liudmila Mokrushina

The group focuses on thermodynamic methods to describe the increasing complexity of substances in chemical and biochemical engineering. Fluid mixtures containing surfactants, ionic liquids, deep eutectic solvents, dendritic (in particular, hyperbranched) polymers, and dissolved gases can not be well described with current models. The purpose is to extend the methods of phase equilibrium thermodynamics to such systems in order to provide reliable equilibrium data (partitioning, solubility etc.) for the separation processes (destillation, extraction, absorption etc.) as well as to define new materials for these processes. Both experimental and theoretical investigations are performed. A variety of experimental setups provides the possibilty to measure the thermodynamic properties and phase equilibria in fluid systems of increasing complexity. Theoretically, the group works on group-contribution methods (UNIFAC, UNIFAC-FV, UNIFAC-IF etc.), an a priori prediction of thermophysical properties on the basis of quantum chemical calculations (COSMO-RS), and molecular simulations.

General strategy