{"title":"298.15 K下水+ 2,3-丁二醇与萜烯基深共晶溶剂赝三元体系的液-液平衡","authors":"Hyun Jong Choe, and , Kwang Ho Song*, ","doi":"10.1021/acs.jced.4c0049610.1021/acs.jced.4c00496","DOIUrl":null,"url":null,"abstract":"<p >Liquid–liquid equilibria (LLE) were studied for pseudoternary systems consisting of water, 2,3-butanediol, and deep eutectic solvents (DESs) at 298.15 K. The DESs were based on coumarin/thymol, menthol/decanoic acid, menthol/thymol, and thymol/10-undecenoic acid in a 1:1 molar ratio, as well as menthol/1-naphthol in a 2:1 molar ratio. The density and viscosity of the DESs were evaluated and compared with the literature data. The DESs and their compositions were determined using Fourier-transform infrared spectroscopy. The distribution coefficients and separation factors of 2,3-butanediol were examined in each pseudoternary system. Among these, the thymol-based DES, with 10-undecenoic acid as a hydrogen bond donor, exhibited the highest separation factor. A nonrandom two-liquid (NRTL) model was used to regress the LLE data. The Gibbs energy of the mixing (<i>G</i><sup>M</sup>/<i>RT</i>) surface was analyzed topologically to check tie-line consistency. The experimental and NRTL-modeled tie lines were tangential to the <i>G</i><sup>M</sup>/<i>RT</i> surface curve, indicating that the minimum Gibbs free energy of mixing was achieved at equilibrium points.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 2","pages":"1063–1074 1063–1074"},"PeriodicalIF":2.1000,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Liquid–Liquid Equilibria for the Pseudoternary Systems Water + 2,3-Butanediol with Terpene-Based Deep Eutectic Solvents at 298.15 K\",\"authors\":\"Hyun Jong Choe, and , Kwang Ho Song*, \",\"doi\":\"10.1021/acs.jced.4c0049610.1021/acs.jced.4c00496\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Liquid–liquid equilibria (LLE) were studied for pseudoternary systems consisting of water, 2,3-butanediol, and deep eutectic solvents (DESs) at 298.15 K. The DESs were based on coumarin/thymol, menthol/decanoic acid, menthol/thymol, and thymol/10-undecenoic acid in a 1:1 molar ratio, as well as menthol/1-naphthol in a 2:1 molar ratio. The density and viscosity of the DESs were evaluated and compared with the literature data. The DESs and their compositions were determined using Fourier-transform infrared spectroscopy. The distribution coefficients and separation factors of 2,3-butanediol were examined in each pseudoternary system. Among these, the thymol-based DES, with 10-undecenoic acid as a hydrogen bond donor, exhibited the highest separation factor. A nonrandom two-liquid (NRTL) model was used to regress the LLE data. The Gibbs energy of the mixing (<i>G</i><sup>M</sup>/<i>RT</i>) surface was analyzed topologically to check tie-line consistency. The experimental and NRTL-modeled tie lines were tangential to the <i>G</i><sup>M</sup>/<i>RT</i> surface curve, indicating that the minimum Gibbs free energy of mixing was achieved at equilibrium points.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 2\",\"pages\":\"1063–1074 1063–1074\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-01-06\",\"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.4c00496\",\"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.4c00496","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}
Liquid–Liquid Equilibria for the Pseudoternary Systems Water + 2,3-Butanediol with Terpene-Based Deep Eutectic Solvents at 298.15 K
Liquid–liquid equilibria (LLE) were studied for pseudoternary systems consisting of water, 2,3-butanediol, and deep eutectic solvents (DESs) at 298.15 K. The DESs were based on coumarin/thymol, menthol/decanoic acid, menthol/thymol, and thymol/10-undecenoic acid in a 1:1 molar ratio, as well as menthol/1-naphthol in a 2:1 molar ratio. The density and viscosity of the DESs were evaluated and compared with the literature data. The DESs and their compositions were determined using Fourier-transform infrared spectroscopy. The distribution coefficients and separation factors of 2,3-butanediol were examined in each pseudoternary system. Among these, the thymol-based DES, with 10-undecenoic acid as a hydrogen bond donor, exhibited the highest separation factor. A nonrandom two-liquid (NRTL) model was used to regress the LLE data. The Gibbs energy of the mixing (GM/RT) surface was analyzed topologically to check tie-line consistency. The experimental and NRTL-modeled tie lines were tangential to the GM/RT surface curve, indicating that the minimum Gibbs free energy of mixing was achieved at equilibrium points.
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.