Experimental data and thermodynamic modeling of solubility of Sorafenib tosylate, as an anti-cancer drug, in supercritical carbon dioxide: Evaluation of Wong-Sandler mixing rule

This article is the first to examine an anti-cancer medicine, namely Sorafenib tosylate, in terms of its solubility in SC-CO2. This was done in different ranges of pressure (120-270 bar) and temperature (308338 K). For this purpose, solubility data correlation was performed via two main sets of techniques; these included (1) two equations of states (EoSs), namely Peng-Robinson (PR) and Soave-Redlich-Kwong (SRK) with vdW2 and Wong-Sandler mixing rules (with two activity models: NRTL and Wilson) and (2) a total of 8 semi-empirical density-based models. The results indicated superior performance of the SRK-WS-Wilson EoS, considering the solubility of Sorafenib tosylate in SC-CO2, as compared to the other EoS-based models, at all temperatures except for the highest temperature, while the WS mixing rule with NRTL activity model has better performance at higher temperatures. Two EoSs with vdW2 mixing rule fitted the experimental solubility data of Sorafenib tosylate with the highest error (least accuracy). It should be noted that the two EoSs with two mixing rules failed to properly correlate the solubility data of the drug at 338 K. Among the studied semi-empirical models, those proposed by Bian et al. (10.3%) and Sodeifian et al. (10.1%) produced the best predictions. (C) 2019 Elsevier Ltd.