Phase equilibrium modeling of mixtures containing conformationally flexible molecules with the COSMO-SAC model
Ying‐Chieh Hung, Chieh‐Ming Hsieh, Hiroshi Machida, Shiang‐Tai Lin, Yusuke Shimoyama
Topics & Concepts
SolvationChemistryMolecular dynamicsMoleculeSolubilityPhase (matter)Phase equilibriumComputational chemistryMolecular modelThermodynamicsOrganic chemistryPhysicsCrystallization and Solubility StudiesAnalytical Chemistry and ChromatographyChemical and Physical Properties in Aqueous Solutions