COSMOtherm

The leading COSMO-RS application in Solvation Chemistry

COSMOtherm is the universal tool for predictive property calculation of liquids, and combines quantum chemistry and thermodynamics in a unique fashion. It calculates the chemical potential of almost any molecule in almost any pure or mixed liquid at variable temperature, i.e. it predicts how happy a molecule is in a certain liquid environment. This is the key for the prediction of a multitude of properties required in industrial applications or academic research, including solubility, partitioning, vapor pressure, and complete phase diagrams. In contrast to several other available methods COSMOtherm is able to predict properties as function of concentration and temperature by applying thermodynamically consistent equations.

Benefits

  • Simple and fast thermodynamic property prediction
  • Reliable, robust and predictive into unknown areas due to unique first principles approach.
  • Versatile and powerful toolbox suited equally for non-specialists and simulation experts
The COSMO-RS Workflow: From molecules to properties
Charge density surface of water
Charge density surface of benzene