COSMOtherm is built on the COSMO-RS (Conductor-like Screening Model for Realistic Solvation) method, a theory that links quantum chemistry with thermodynamics. Unlike traditional methods that often require extensive and tedious experimental data fitting or rely on group-contribution methods (like UNIFAC) that may fail for complex molecules, COSMO-RS takes a fundamentally different approach. It calculates the chemical potential of molecules in a liquid environment directly from their molecular structure.
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The software is built on the quantum-chemical COSMO-RS (Conductor-like Screening Model for Real Solvents) theory. This allows COSMOtherm to provide valuable thermodynamic data that can be used in process modeling and engineering (PME) simulation environments. The is a golden opportunity for the next