Thermodynamic Modeling of Solubility

Abstract

Thermodynamic Modeling of SolubilityThe knowledge of the solubility in pure solvents and solvent mixtures is crucial for designing the crystallization process.However, it is practically impossible to scan all possible solvent mixtures and mixture compositions experimentally. Therefore, a physically well-founded thermodynamic model which allows for solubility predictions in pure solvents and solvent mixtures based only on a small amount of experimental data is required. In this work, we demonstrated the applicability of the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state to model and to predict the solubility, especially of pharmaceuticals and complex (bio-) molecules, in pure solvents and solvent mixtures.

Technische Chemie 2011

“…Dafür sind wenige experimentelle Löslichkeitspunkte in einem reinen Lösemittel oder einzelne Löslichkeiten in unterschiedlichen Lösemitteln notwendig 1_15,1_16. Mit der PC‐SAFT‐Zustandsgleichung ergaben sich viel versprechende Resultate bei der Vorhersage von Stofflöslichkeiten in reinen Lösemitteln und in Lösemittelgemischen (Abbildung 3) 1_17…”