COSMOthermPhysical Sciences and Technology
- Data Analysis
COSMOtherm is the universal tool for predictive property calculation of liquids, and combines quantum chemistry and thermodynamics.
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.