This study reports the first measurement of the solubility of Quetiapine hemifumarate (QHF, an antipsychotic drug) in supercritical carbon dioxide (ScCO₂) by static method apparatus at temperatures range of 308–338 K and pressures range of 120–270 bar. The solubility of QHF varied between 0.30 $\times$ 10⁻⁶ and 9.03 $\times$ 10⁻⁶ (in mole fraction). Three types of models were selected to correlate experimental data: (1) semi-empirical models with 3 to 6 adjustable parameters developed by Chrastil, Méndenz-Santiago & Teja, Bartle, Sung-Shim, Hozhabr, Jafari, Bian, Garlapati – Madras, Keshmiri, Khansary, Gordillo, Jouyban, and Sodeifian; (2) the solution model along with Hansen parameter; and (3) the Peng Robinson's cubic equation with conventional temperature-independent mixing rule. According to the results, all types of models adequately determined the solubility data of QHF in ScCO₂ with acceptable accuracy. However, among all empirical models, Garlapati – Madras model led to the best results (AARD of 7.29); at the same time, the solution model with the Hansen parameter yielded a good correlation for the solubility of 12 compounds (mean AARD of 6.54). Furthermore, thermodynamic quantities of solvation and sublimation enthalpies were estimated.

这项研究报告了通过静态方法在308-338 K的温度范围和120-270 bar的压力范围内首次测量喹硫平半富马酸盐（QHF，一种抗精神病药物）在超临界二氧化碳（ScCO ₂）中的溶解度。QHF的溶解度在0.30之间变化$\times$10 ^-6和9.03$\times$10 ^-6（以摩尔分数计）。选择了三种类型的模型来关联实验数据：（1）Chrastil，Mennz-Santiago＆Teja，Bartle，Sung-Shim，Hozhabr，Jafari，Bian，Garlapati – Madras，克什米尔（K​​eshmiri），汉萨里（Khansary），戈迪略（Gordillo），茹伊班（Jouyban）和索德菲安（Sodeifian）；（2）连同汉森参数的求解模型；（3）具有常规温度无关混合规则的Peng Robinson三次方程。根据结果​​，所有类型的模型都充分确定了QHF在ScCO _2中的溶解度数据可以接受的精度。然而，在所有的经验模型中，加拉帕蒂-马德拉斯模型导致了最好的结果（AARD为7.29）。同时，具有Hansen参数的溶液模型对12种化合物的溶解度具有良好的相关性（平均AARD为6.54）。此外，估计了溶剂化和升华焓的热力学量。