Based on COSMO-RS theory, COSMOTHEM series products comprehensively predict the thermodynamic properties of mixed solutions of any component, chemical process design, chemical solvent screening, drug molecular screening
★ Activity coefficient
★ Henry coefficient
★ The vapor pressure of pure substance and mixture
★ Heat of vaporization
★ Partition coefficient of solute in two arbitrary solvents
★ Solubility of gas, liquid and solid
★ Mixed heat
★ Phase diagram of azeotrope
★ Distillation separation factor
★ Vapor-liquid balance (VLE)
★ Liquid-liquid balance (LLE)
★ Solid-liquid balance (SLE)
★ Reaction thermodynamics in solution
★ Solubility of polymer
★ Ordinary adsorption phenomenon
※ Verification application
——Solubility of drug in water
——Solubility in any solvent / solvent screening
——Common partition coefficients in any solvent
——Special partition coefficient, such as logBB, intestinal absorption, human serum protein binding
※ Potential application
——Unified interaction of electrostatic potential, hydrogen bonding and lipophilicity
-Value of Electronic Field Analysis (MFA)
—— Membrane model extension
——Interaction location
——The influence of solvent morphology
——Other applications
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