Estimating activity coefficients of target components in poorly specified mixtures with NMR spectroscopy and COSMO-RS
Thomas Specht, Kerstin Münnemann, Fabian Jirasek, Hans Hasse
Topics & Concepts
UNIFACChemistryActivity coefficientGroup contribution methodComponent (thermodynamics)Group (periodic table)Composition (language)ThermodynamicsWork (physics)Nuclear magnetic resonance spectroscopySpectroscopyCOSMO-RSAqueous solutionBiological systemOrganic chemistryPhase equilibriumPhase (matter)CatalysisPhilosophyQuantum mechanicsBiologyPhysicsLinguisticsIonic liquidCrystallization and Solubility StudiesThermodynamic properties of mixturesChemical and Physical Properties in Aqueous Solutions