水/乙腈体系中新型酰胺基深共晶溶剂的理化性质及相关性质预测

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Junyi Chu, Yixuan Wang, Mei Hong, Junshuang Wu and Jing Tong*, 
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引用次数: 0

摘要

以甲酰胺、乙酰胺和丙酰胺为氢键给体,己内酰胺为氢键受体,制备了3种酰胺基深度共晶溶剂(DESs)。在288.15 ~ 318.15 K的温度范围内,测量了DESs和水/乙腈混合物在全摩尔浓度下的密度、粘度和表面张力。随后,计算相应的体积特性、粘流特性和表面特性。将多余粘性流动激活吉布斯自由能和多余表面吉布斯自由能与预测黏度和表面张力的Redlich-Kister经验方程相结合。预测值与实验值的线性拟合表明,拟合斜率接近1,r2接近0.999,充分说明两种预测模型对粘度值和表面张力值的预测效果都非常好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Physicochemical Properties and Related Property Prediction of New Amide-Based Deep Eutectic Solvents in the Water/Acetonitrile System

Physicochemical Properties and Related Property Prediction of New Amide-Based Deep Eutectic Solvents in the Water/Acetonitrile System

Three kinds of amide-based deep eutectic solvents (DESs) were prepared with formamide, acetamide, and propionamide as hydrogen bond donors and caprolactam as the hydrogen bond acceptor. The density, viscosity, and surface tension of the mixtures of DESs and water/acetonitrile were measured at whole molar concentrations within the temperatures from 288.15 to 318.15 K. Subsequently, the corresponding volume properties, viscous flow properties, and surface properties were calculated. The excess viscous flow activation Gibbs free energy and the excess surface Gibbs free energy are combined with the Redlich–Kister empirical equation for viscosity and surface tension prediction. The linear fitting of the predicted values and experimental values shows that the fitting slope is close to 1 and the r2 is close to 0.999, fully indicating that the two prediction models have extremely excellent prediction effects on viscosity values and surface tension values.

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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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