The COnductor-like Screening MOdel for Realistic Solvents calculates thermodynamic properties of fluids and solutions based on quantum mechanical data. Properties from COSMO-RS have predictive power outside the parametrization set, as opposed to empirical models (e.g. UNIFAC).
Let our developer Nick Austin talk you through some key features in COSMO-RS:
- quick sigma profiles for COSMO-RS & COSMO-SAC
- UNIFAC & QSPR prediction of many properties
- optimizing solvent mixtures for solubility or extraction