Michael BLEY (LMCT) will defend his Ph.D. dissertation entitled "Simulating Osmotic Equilibria by Molecular Dynamics – From Vapor-Liquid Interfaces to Thermodynamic Properties in Concentrated Solutions" on Wednesday, November 21, 2018 at 2.00 pm (ICSM Auditorium).
The aim of this PhD thesis is the development of a new theoretical method based on the simulation of vapor-liquid equilibria by means of molecular dynamics (MD) simulation. This new method predicts thermodynamic properties such as solvent activities and solute activity coefficients of aqueous and organic phases used in liquid-liquid extraction systems. The osmotic equilibrium MD approach provides a new and powerful tool for accessing thermodynamic data.
