扩展苯甲酸在酒精水溶液中的平衡溶解度和溶解热力学

Reactions Pub Date : 2022-08-01 DOI:10.3390/reactions3030028
S. Akay, B. Kayan, M. Peña, A. Jouyban, F. Martínez, W. E. Acree
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引用次数: 1

摘要

在T = (293.15 ~ 323.15) k范围内测定了苯甲酸在水和乙醇以及9种{乙醇(1)+水(2)}混合物中的平衡溶解度,这些水-乙醇混合物中的苯甲酸摩尔分数溶解度与一些著名的相关/预测模型充分相关,平均百分比偏差为2.2 ~ 7.6%。溶解、混合和溶剂化过程的表观热力学量,即吉布斯能、焓和熵,由范特霍夫方程和吉布斯方程计算。溶出表观焓与表观吉布斯能的焓-熵补偿图不是线性的,说明了转移的焓和熵机制。最后,通过逆Kirkwood-Buff积分,观察到苯甲酸在富水混合物中优先被水分子溶剂化,而在{乙醇(1)+水(2)}0.24 < x1 < 1.00混合物中优先被乙醇分子溶剂化。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Expanding the Equilibrium Solubility and Dissolution Thermodynamics of Benzoic Acid in Aqueous Alcoholic Mixtures
The equilibrium solubility of benzoic acid in water and ethanol, as well as in nine {ethanol (1) + water (2)} mixtures, was determined from T = (293.15 to 323.15) K. Benzoic acid mole fraction solubility in these aqueous-ethanolic mixtures was adequately correlated with some well-known correlation/prediction models, obtaining mean percentage deviations of 2.2 to 7.6%. Apparent thermodynamic quantities, namely, Gibbs energy, enthalpy, and entropy, for the dissolution, mixing and solvation processes, were computed by means of the van ’t Hoff and Gibbs equations. The enthalpy–entropy compensation plot of apparent enthalpy vs. apparent Gibbs energy of dissolution was not linear, indicating enthalpy and entropy mechanisms for transfer. Ultimately, by using the inverse Kirkwood–Buff integrals, it is observed that benzoic acid is preferentially solvated by water molecules in water-rich mixtures but preferentially solvated by ethanol molecules in those {ethanol (1) + water (2)} mixtures of 0.24 < x1 < 1.00.
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CiteScore
2.70
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