Solubility of curcumin in subcritical water: Experimental data, modeling, and thermodynamic parameters

IF 2.2 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Journal of Chemical Thermodynamics Pub Date : 2024-07-20 DOI:10.1016/j.jct.2024.107347

Alireza Simiari, Maryam Khajenoori, Ali Haghighi Asl

引用次数: 0

Abstract

As an anticancer drug, the mole fraction solubility of curcumin in subcritical water (SBCW) was determined by a static method. Experiments were performed at temperatures between 298.15–423.15 K and a constant pressure of 20 bar. With increasing temperature, the mole fraction of solubility showed a significant increase in the range of 0.03 × 10^-6< x ₂< 13.22 × 10^-6. For the correlation of experimental solubility data, linear, modified Apelblat, NRTL, UNIQUAC, and Wilson thermodynamic models were selected. Among the models, NRTL and modified Apelblat models had a better correlation with the experimental data with MPD% 6.94, 4.68, and RMSD×10⁵ 0.07, 0.04, respectively. Also, the thermodynamic functions such as Gibbs free energy, enthalpy, and entropy were calculated for the solubility process of curcumin in SBCW.

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姜黄素在亚临界水中的溶解度：实验数据、模型和热力学参数

姜黄素作为一种抗癌药物，其在亚临界水（SBCW）中的摩尔分数溶解度是通过静态法测定的。实验在 298.15-423.15 K 的温度和 20 巴的恒压下进行。随着温度的升高，溶解度的分子分数在 0.03 × 10-6< x 2< 13.22 × 10-6 的范围内显著增加。为了对实验溶解度数据进行相关性分析，选择了线性模型、修正的 Apelblat 模型、NRTL 模型、UNIQUAC 模型和 Wilson 热力学模型。在这些模型中，NRTL 和修正的 Apelblat 模型与实验数据的相关性较好，MPD% 分别为 6.94、4.68，RMSD×105 分别为 0.07、0.04。此外，还计算了姜黄素在 SBCW 中溶解过程的热力学函数，如吉布斯自由能、焓和熵。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Chemical Thermodynamics 工程技术-热力学

CiteScore

5.60

自引率

15.40%

发文量

199

审稿时长

79 days

期刊介绍： The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.