Volumetric Properties of Binary and Ternary Mixtures of Choline Chloride-Based Deep Eutectic Solvent with Water at Several Temperatures

IF 2.4 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-28 DOI:10.1021/acs.jced.6c00330
Prathiksha Prabhakar, Anantharaj Ramalingam
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引用次数: 0

Abstract

Densities were measured for a series of choline chloride-based deep eutectic solvents (DESs) mixed with water over the entire composition range at several temperatures. The investigated systems include DESs formed with acids, polyols, and thiourea, as well as ternary DESs containing mixed hydrogen bond donors. From the experimental density data, excess molar volumes (VEm) were calculated and correlated using the Redlich–Kister polynomial equation. The excess molar volumes are strongly dependent on composition, temperature, and they deviate significantly from ideality. For all the systems positive VEm values were found, indicating the presence of strong specific interactions and effective molecular packing following mixing. Variations in H-bonding and structural effects related to the nature and stoichiometry of the hydrogen bond donors are reflected in differences in the magnitude and position of VEm extrema. These findings provide reliable volumetric data and contribute to a better understanding of intermolecular interactions in DES–water mixtures.

氯胆碱基深度共熔溶剂与水在不同温度下二元和三元混合物的体积性质
测量了一系列氯化胆碱型深共晶溶剂(DESs)与水在不同温度下的整个组成范围内的密度。所研究的体系包括由酸、多元醇和硫脲形成的dess2,以及含有混合氢键给体的三元dess2。根据实验数据,计算了过量摩尔体积(VEm),并利用redlich - kister多项式方程进行了关联。过量的摩尔体积很大程度上依赖于组分、温度,它们明显偏离理想状态。所有体系的VEm值均为正,表明混合后存在强的特异相互作用和有效的分子堆积。氢键和结构效应的变化与氢键供体的性质和化学计量有关,反映在VEm极值的大小和位置的差异上。这些发现提供了可靠的体积数据,有助于更好地理解des -水混合物中的分子间相互作用。
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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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