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Solubility of 3-aminosalicylic acid in ethanol + water mixtures at different temperatures
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2020-09-21 , DOI: 10.1016/j.molliq.2020.114310
Milad Moradi , Elaheh Rahimpour , Salar Hemmati , Martin Kuentz , Fleming Martinez , Abolghasem Jouyban

Temperature-dependent solubility data of 3-aminosalicylic acid (3-ASA) are scarce in the literature and there is a particular need to explore cosolvency for this compound. Therefore, in the current study, the solubilization profile of 3-ASA along with density data in the mixtures of ethanol and water were measured at a temperature range of 293.2–313.2 K. The generated data were described by using some previously reported linear or non-linear mathematical models and their accuracies were investigated by calculating the mean relative deviations (MRD%). The apparent thermodynamic analysis for 3-ASA dissolution process was performed by the Gibbs and van't Hoff equations. Moreover, molecular insights in the local environment of the solute was obtained based on the inverse Kirkwood-Buff integrals, as it was observed that 3-ASA is preferentially solvated by water molecules from neat water to the mixture x1 = 0.24 and from x1 = 0.35 to neat ethanol. The experimental data and thermodynamic properties provide helpful information for the separation and purification of 3-ASA.



中文翻译:

3-氨基水杨酸在不同温度下在乙醇和水的混合物中的溶解度

3-氨基水杨酸(3-ASA)的温度依赖性溶解度数据在文献中很少,特别需要探索该化合物的共溶性。因此,在当前的研究中,在293.2–313.2 K的温度范围内测量了3-ASA的溶解曲线以及乙醇和水的混合物中的密度数据。通过计算平均相对偏差(MRD)研究线性数学模型及其准确性%)。通过Gibbs和van't Hoff方程对3-ASA溶解过程进行了表观热力学分析。此外,基于逆柯克伍德-巴夫积分,获得了溶质局部环境中的分子洞察力,因为观察到3-ASA被水分子优先从纯水溶解到混合物x 1  = 0.24和x 1中。  = 0.35即可得到纯净乙醇。实验数据和热力学性质为3-ASA的分离和纯化提供了有用的信息。

更新日期:2020-09-21
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