Thermodynamic modeling of pharmaceuticals solubility in pure, mixed and supercritical solvents

[Display omitted] •The PHSC model was used to estimate the solubility of the pharmaceuticals in pure, mixed, and supercritical solvents.•Twenty-one ternary systems were considered to study the solubility of pharmaceuticals in the mixed solvents.•The solubility of five pharmaceuticals in supercritica...

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Bibliographic Details
Published in:Journal of molecular liquids 2022-05, Vol.353, p.118809, Article 118809
Main Authors: Faraz, Omid, Poustchi, Mozhdeh, Nazari Denyani, Ebrahim, Movahedi, Parsa, Rajabi Kouchi, Fereshteh, Shahriari, Reza
Format: Article
Language:English
Subjects:
Carbon dioxide
Drug
Equation of state
Pharmaceutical
Supercritical fluid
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Summary:[Display omitted] •The PHSC model was used to estimate the solubility of the pharmaceuticals in pure, mixed, and supercritical solvents.•Twenty-one ternary systems were considered to study the solubility of pharmaceuticals in the mixed solvents.•The solubility of five pharmaceuticals in supercritical CO2 at different temperatures was estimated. In this study, the capability of the PHSC model was evaluated to predict the solubility of the pharmaceuticals in pure, mixed, and supercritical solvents over a wide range of temperatures and pressures. The PHSC model was utilized for fifteen pharmaceutical compounds in pure and mixed solvents. The prediction results of the PHSC model were compared to PC-SAFT, COSMO-RS, and COSMO-SAC models. Twenty-one ternary systems were considered to study the solubility of pharmaceuticals in the mixed solvents. Finally, the solubility of five pharmaceuticals in supercritical CO2 at different temperatures was estimated using an adjustable temperature-dependent binary interaction parameter. The obtained results show that the solubility of pharmaceuticals in different solvents and supercritical CO2 can be estimated using the PHSC model satisfactory.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2022.118809