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

In this study, the capability of the PHSC model was evaluated to predict the solubility of the pharmaceu-ticals 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 predic-tion 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. (c) 2022 Elsevier B.V. All rights reserved.

Automated summary

In this study, the capability of the PHSC model to predict the solubility of pharmaceuticals in pure, mixed, and supercritical solvents was evaluated. The results showed that the PHSC model can satisfactorily estimate the solubility of pharmaceuticals in different solvents and supercritical CO2.