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Solubility determination, model evaluation, Hansen solubility parameter and thermodynamic properties of benorilate in six pure solvents and two binary solvent mixtures
The Journal of Chemical Thermodynamics ( IF 2.2 ) Pub Date : 2021-02-01 , DOI: 10.1016/j.jct.2020.106301
Jiao Sha , Teng Ma , Zibo Huang , Xiaoran Hu , Ruke Zhang , Zidan Cao , Yameng Wan , Renren Sun , Haixia He , Gaoliang Jiang , Yu Li , Tao Li , Baozeng Ren

Abstract The equilibrium solubility and thermodynamic properties of benorilate in six pure solvents (methyl acetate, n-propyl acetate, n-butyl acetate, n-pentyl acetate, DMAC and DMSO) and two binary solvents (DMAC + n-pentyl acetate, DMSO + n-pentyl acetate) were reported. Solubility determinations were performed through the laser monitoring method at T = (278.15–323.15) K and p = 0.1 MPa, except DMSO at (293.15–323.15) K. The measurement results illustrated that the solubility of benorilate in all the six mono-solvents and two binary solvents shows a positive relation with temperature variation. And with the mass fraction of positive solvents (DMAC, DMSO) in the binary mixed solvents increasing, the solubility of benorilate also rises. And then, the Hansen solubility parameter (HSP) of benorilate as well as solvents selected were summarized to analyse the probabilities of miscibility between solute and solvents. The results indicate that the HSP could explain the solubility trend well, and the miscibility of benorilate with selected solvents is caused by a combination of factors. In addition, all recorded solubility of benorilate in pure solvents were regressed by λh, modified Apleblat, Two-Suffix Margules, NRTL and UNIQUAC models, while solubility of benorilate in two binary solvents were regressed by λh, modified Apleblat, Three-Suffix Margules, NRTL and UNIQUAC models. By calculating the deviation between the experimental data and the regression data, it shows that the modified Apelblat model and λh model can provide more accurate correlation results for the solubility of benorilate in all the solvents studied. Furthermore, the apparent thermodynamic properties of benorilate in all solvents were calculated and investigated by the Van't Hoff equation. The results demonstrate that the dissolution process of benorilate is an endothermic, non-spontaneous process driven by entropy.

中文翻译:

苯甲酸酯在六种纯溶剂和两种二元溶剂混合物中的溶解度测定、模型评估、汉森溶解度参数和热力学性质

摘要 苯甲酸酯在六种纯溶剂(乙酸甲酯、乙酸正丙酯、乙酸正丁酯、乙酸正戊酯、DMAC 和 DMSO)和两种二元溶剂(DMAC + 乙酸正戊酯、DMSO +乙酸正戊酯)的报道。溶解度测定是通过激光监测方法在 T = (278.15-323.15) K 和 p = 0.1 MPa 下进行的,除了 DMSO 在 (293.15-323.15) K。测量结果表明苯甲酸酯在所有六种单溶剂中的溶解度两种二元溶剂与温度变化呈正相关。并且随着二元混合溶剂中正溶剂(DMAC、DMSO)质量分数的增加,苯甲酸酯的溶解度也增加。然后,总结了苯甲酸酯的汉森溶解度参数 (HSP) 以及选定的溶剂,以分析溶质和溶剂之间的混溶概率。结果表明,HSP 可以很好地解释溶解度趋势,并且苯甲酸酯与所选溶剂的混溶是由多种因素共同引起的。此外,所有记录的benorilate在纯溶剂中的溶解度都通过λh、修正的Apleblat、双后缀Margules、NRTL和UNIQUAC模型进行回归,而benorilate在两种二元溶剂中的溶解度通过λh、修正的Apleblat、三后缀Margules回归, NRTL 和 UNIQUAC 模型。通过计算实验数据与回归数据的偏差,这表明改进的 Apelblat 模型和 λh 模型可以为苯甲酸酯在所有研究的溶剂中的溶解度提供更准确的相关结果。此外,苯甲酸酯在所有溶剂中的表观热力学性质通过范特霍夫方程计算和研究。结果表明,苯菌灵的溶解过程是一个受熵驱动的吸热、非自发过程。
更新日期:2021-02-01
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