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Solubility and thermodynamic mixing and dissolution properties of empagliflozin in pure and binary solvent systems
Journal of Molecular Liquids ( IF 5.3 ) Pub Date : 2020-04-03 , DOI: 10.1016/j.molliq.2020.113004
Jiayuan Ma , Xin Huang , Na Wang , Xin Li , Ying Bao , Ting Wang , Hongxun Hao

In this work, the solubility data of empagliflozin in nine pure solvents and one binary solvent were measured by dynamic method at the temperature ranging from 278.15 K to 313.15 K. The results showed that the solubility data of empagliflozin in all measured solvents increased with the increasing of temperature. Besides, the NRTL model, the modified Apelblat equation and the λh equation were used to correlate the experimental solubility data of empagliflozin in nine pure solvent systems and the solubility in binary solvent systems was correlated by the NRTL model, the CNIBS/R-K model and the Jouyban-Acree model. The computational results showed that the modified Apelblat equation can give better correlation results for nine pure solvent systems while the CNIBS/R-K model is more accurate for binary solvents system. Finally, the mixing and dissolution thermodynamic properties, including Gibbs energy, entropy and enthalpy of empagliflozin in all tested solvents were calculated by the NRTL model and the solubility data.



中文翻译:

恩帕格列净在纯和二元溶剂体系中的溶解度和热力学混合与溶解特性

本研究采用动态方法在278.15 K〜313.15 K的温度范围内通过动态方法测定了恩帕格列净在9种纯溶剂和1种二元溶剂中的溶解度数据。结果表明,恩帕列净在所有被测溶剂中的溶解度数据均随着增加而增加。温度。此外,NRTL模型,修正的Apelblat方程和λh用方程式关联了恩帕格列净在9种纯溶剂体系中的实验溶解度数据,并通过NRTL模型,CNIBS / RK模型和Jouyban-Acree模型对在二元溶剂体系中的溶解度进行了关联。计算结果表明,改进后的Apelblat方程对于九种纯溶剂系统能提供更好的相关性,而CNIBS / RK模型对于二元溶剂系统更准确。最后,通过NRTL模型和溶解度数据计算了混合和溶解热力学性质,包括吉布斯能量,恩帕格列净在所有测试溶剂中的熵和焓。

更新日期:2020-04-03
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