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Solubility measurement of Ceftriaxone sodium in SC-CO2 and thermodynamic modeling using PR-KM EoS and vdW mixing rules with semi-empirical models
Case Studies in Thermal Engineering ( IF 6.4 ) Pub Date : 2024-09-02 , DOI: 10.1016/j.csite.2024.105074
Gholamhossein Sodeifian , Hamidreza Bagheri , Mohsen Ashjari , Majid Noorian-Bidgoli

The complete investigation of the solubility of drug has not yet been conducted. This communication investigates the solubility of drug in supercritical CO (SC-CO) for the first time. The drug solubility measurements were performed using utilizing UV–vis analysis under different operation conditions (at P (bar) = 120–270 and T (K) = 308–338). The results demonstrated that the solubility of ranged from 0.90 × 10 to 8.01 × 10. The mole fraction solubility of increases proportionally with an increase in the pressure, while maintaining a constant temperature. However, a crossover was noted. The solubility behavior of drug in SC-CO was modeled by Peng-Robinson equation of state (PR EoS) with Kwak-Mansoori and van der Waals mixing rules and seven semi-empirical correlations (Bian et al., Kumar-Johnston, Chrastil, Garlapati-Madras, Bartle et al., Sung-Shim and Sodeifian et al.,). The vaporization, total and solvation enthalpies of the /SC-carbon dioxide system were obtained by KJ, Chrastil, and Bartle et al. correlations. The evaluation of two methods was performed by absolute average relative deviation (AARD%). Both models exhibited a satisfactory level of agreement with the experimental data. Finally, PR/KM EoS and the Chrastil models, with AARD% values of 8.70 % and 8.10 % respectively, showed superior precision in accurately fitting the solubility data.

中文翻译:


头孢曲松钠在 SC-CO2 中的溶解度测量以及使用 PR-KM EoS 和 vdW 混合规则与半经验模型的热力学建模



尚未对药物的溶解度进行完整的研究。本次交流首次研究了药物在超临界 CO (SC-CO) 中的溶解度。药物溶解度测量是在不同操作条件下(P (bar) = 120–270 和 T (K) = 308–338)下利用 UV-vis 分析进行的。结果表明, 的溶解度范围为 0.90 × 10 至 8.01 × 10 。 在保持恒定温度的情况下, 的摩尔分数溶解度随着压力的增加而成比例增加。然而,注意到了交叉。药物在 SC-CO 中的溶解度行为通过 Peng-Robinson 状态方程 (PR EoS) 以及 Kwak-Mansoori 和 van der Waals 混合规则以及七个半经验相关性进行建模(Bian 等人、Kumar-Johnston、Chrastil、 Garlapati-Madras、Bartle 等人、Sung-Shim 和 Sodeifian 等人)。 KJ、Chrastil 和 Bartle 等人获得了 /SC-二氧化碳体系的汽化、总和溶剂化焓。相关性。采用绝对平均相对偏差(AARD%)对两种方法进行评价。两种模型都与实验数据表现出令人满意的一致性。最后,PR/KM EoS 和 Chrastil 模型的 AARD% 值分别为 8.70 % 和 8.10 %,在准确拟合溶解度数据方面显示出卓越的精度。
更新日期:2024-09-02
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