Measurement and thermodynamic modelling of the solubilities of caffeic acid, p-coumaric acid and ferulic acid in three choline chloride-based deep eutectic solvents

IF 2.2 3区工程技术 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Thermodynamics Pub Date : 2024-06-08 DOI:10.1016/j.jct.2024.107335

Nikolaos Prinos, Maria Myrto Dardavila, Epaminondas Voutsas

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Abstract

This work presents experimental solubility measurements for three cinnamic acid derivatives (CADs) namely caffeic acid (CA), p-coumaric acid (p-CA) and ferulic acid (FA) in three Deep Eutectic Solvents (DESs), choline chloride-1,2 butanediol (ChCl:1,2 butanediol (1:4)), choline chloride-1,4 butanediol (ChCl:1,4 butanediol (1:4)) and choline chloride-acetic acid (ChCl:Acetic Acid (1:2)). All measurements were performed in the temperature range of 293.15 to 323.15 K and at atmospheric pressure. Density and viscosity measurements of pure DESs ChCl:1,2 butanediol (1:4) and ChCl:1,4 butanediol (1:4) are also reported. ChCl:1,4 butanediol (1:4) and ChCl:1,2 butanediol (1:4) reveals the highest solvation capacity for CADs among the examined solvents, while p-CA was found to be less soluble than CA and FA in all solvents. Thermodynamic functions of dissolution were also determined using the Van’t Hoff equation and the results imply that the process is endothermic for all systems studied. Finally, UNIQUAC and NRTL activity coefficient models were satisfactorily implemented to correlate the experimental solubilities.

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咖啡酸、对香豆酸和阿魏酸在三种基于氯化胆碱的深共晶溶剂中的溶解度测量与热力学建模

这项工作介绍了三种肉桂酸衍生物（CAD），即咖啡酸（CA）、对香豆酸（p-CA）和阿魏酸（FA）在三种深共晶溶剂（DES），即氯化胆碱-1,2 丁二醇（ChCl：1,2-丁二醇（1:4））、氯化胆碱-1,4-丁二醇（ChCl:1,4-丁二醇（1:4））和氯化胆碱-乙酸（ChCl:乙酸（1:2））。所有测量均在 293.15 至 323.15 K 的温度范围和大气压力下进行。此外，还报告了纯 DES ChCl:1,2 丁二醇 (1:4) 和 ChCl:1,4 丁二醇 (1:4) 的密度和粘度测量结果。在所研究的溶剂中，ChCl:1,4 丁二醇（1:4）和 ChCl:1,2丁二醇（1:4）对 CAD 的溶解能力最高，而对 CA 在所有溶剂中的溶解度均低于 CA 和 FA。此外，还使用 Van't Hoff 方程测定了溶解的热力学函数，结果表明所有研究体系的溶解过程都是内热的。最后，UNIQUAC 和 NRTL 活性系数模型得到了令人满意的应用，与实验溶解度相关联。

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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.