Junyi Chu, Yixuan Wang, Mei Hong, Junshuang Wu and Jing Tong*,
{"title":"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","authors":"Junyi Chu, Yixuan Wang, Mei Hong, Junshuang Wu and Jing Tong*, ","doi":"10.1021/acs.jced.4c0074610.1021/acs.jced.4c00746","DOIUrl":null,"url":null,"abstract":"<p >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 <i>r</i><sup>2</sup> is close to 0.999, fully indicating that the two prediction models have extremely excellent prediction effects on viscosity values and surface tension values.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1930–1945 1930–1945"},"PeriodicalIF":2.0000,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Physicochemical Properties and Related Property Prediction of New Amide-Based Deep Eutectic Solvents in the Water/Acetonitrile System\",\"authors\":\"Junyi Chu, Yixuan Wang, Mei Hong, Junshuang Wu and Jing Tong*, \",\"doi\":\"10.1021/acs.jced.4c0074610.1021/acs.jced.4c00746\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >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 <i>r</i><sup>2</sup> is close to 0.999, fully indicating that the two prediction models have extremely excellent prediction effects on viscosity values and surface tension values.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 5\",\"pages\":\"1930–1945 1930–1945\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-04-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.4c00746\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.4c00746","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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.
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.