Publication | Closed Access
Revision of MOSCED Parameters and Extension to Solid Solubility Calculations
93
Citations
38
References
2005
Year
Chemical KineticsEngineeringSolid-state ChemistryComputational ChemistryChemistryModified Unifac ModelMosced ModelSolution (Chemistry)Thermodynamic ModellingSolid Solubility CalculationsOrganic SolventsMolecular ThermodynamicsEquilibrium Thermodynamic PropertyMaterials SciencePhysical ChemistryAb-initio MethodPhase EquilibriumInterfacial PhenomenaChemical Thermodynamics
New pure component parameters are presented for the MOSCED limiting activity coefficient model for 133 solvents with an absolute average deviation of 10.6% to experimental literature data. The MOSCED model has been applied to solid−liquid equilibria correlation and compared with the experimental data available in the literature. The correlation of solubility of 26 solids in organic solvents has an average absolute deviation of 25%. This compares favorably to the prediction of the modified UNIFAC model.
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