Parametrization of PC-SAFT EoS for Solvents Reviewed for Use in Pharmaceutical Process Design: VLE, LLE, and SLE Study

Publish Year: 1401
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:

THERMODYNAMICS06_027

تاریخ نمایه سازی: 28 خرداد 1401

Abstract:

The PC-SAFT EoS is one of the state-of-the-art thermodynamic models used in the phase equilibria calculation of associating mixtures, in particular in the pharmaceutical industry. Accordingly, parametrization of PC-SAFT EoS for approved solvents reviewed for use in pharmaceutical process design is done in the present study. First, the PC-SAFT EoS model parameters for the pure ۱۵ solvents were regressed. The binary high-quality available vapor-liquid equilibrium data (۹۲ of ۱۰۵), and also binary liquid-liquid equilibrium (LLE) data were used to tune the interaction parameters of the PC-SAFT model between the ۱۵ solvents. The interaction parameters of ۱۰۲ from ۱۰۵ (۹۷%) solvent-solvent systems were regressed. The temperature-dependent effective cross-association volume of the PC-SAFT model plays a very important role in fitting experimental VLE, and also LLE data. Using the obtained binary LLE parameters. Finally, the solubility of naftopidil was regressed in the pure solvents and successfully predicted in binary solvents. So, the PC-SAFT EoS with the current state is a full thermodynamic package to be used in the active pharmaceutical ingredient synthesis, finished product, and also purification operations.

Authors

M Asgari

Department of Chemical Engineering, Sharif University of Technology, Tehran, Iran

J Yousefi Seyf

Department of Chemical Engineering, Hamedan University of Technology, Hamedan, Iranjaber.yosofi@yahoo.com