Salal Hasan Khudaida, Jiarou Liu, Mohamed Tarek Ahmed, Yu-Cheng Chang and Ardila Hayu Tiwikrama*,
{"title":"用准三元液-液平衡数据评价二乙二醇基深度共晶溶剂分离苯和正己烷","authors":"Salal Hasan Khudaida, Jiarou Liu, Mohamed Tarek Ahmed, Yu-Cheng Chang and Ardila Hayu Tiwikrama*, ","doi":"10.1021/acs.jced.5c00294","DOIUrl":null,"url":null,"abstract":"<p >The pseudoternary systems of deep eutectic solvents (DESs) has attracted interest in separation technology due to its novel physicochemical properties. Two DESs of [ChCl][DEG] with molar ratios of 1:4 (DES1) and 1:8 (DES2) were prepared. The pseudoternary systems of n-hexane + benzene + DES1 and n-hexane + benzene + DES2 measured the tie lines of liquid–liquid equilibrium (LLE) data at <i>T</i> = 298.15–318.15 K and at atmospheric pressure. The assumption of DESs as the pseudopure component was performed to investigate pseudoternary LLE, which implies that the DESs remain unaltered in a single phase. DES2 was found to substantially increase the selectivity (<i>S</i>) values for the separation of benzene and n-hexane. The Othmer–Tobias and Bachman correlations were used to evaluate the reliability of the experimental tie-line data. The NRTL model shows a good agreement of the calculated and experimental values of n-hexane + benzene + DES1 with the root-mean-square deviation of 0.0076. The pseudoternary system of n-hexane + benzene + DES2 shows a good agreement with the UNIQUAC model with the RMSD of 0.0095. To verify the tie-line consistency, G<sup>M</sup>/<i>RT</i> was used to topologically analyze the Gibbs mixing energy.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3747–3758"},"PeriodicalIF":2.1000,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00294","citationCount":"0","resultStr":"{\"title\":\"Toward Evaluation of Diethylene Glycol-Based Deep Eutectic Solvents for the Separation of Benzene and n-Hexane Using Pseudoternary Liquid-Liquid Equilibrium Data\",\"authors\":\"Salal Hasan Khudaida, Jiarou Liu, Mohamed Tarek Ahmed, Yu-Cheng Chang and Ardila Hayu Tiwikrama*, \",\"doi\":\"10.1021/acs.jced.5c00294\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The pseudoternary systems of deep eutectic solvents (DESs) has attracted interest in separation technology due to its novel physicochemical properties. Two DESs of [ChCl][DEG] with molar ratios of 1:4 (DES1) and 1:8 (DES2) were prepared. The pseudoternary systems of n-hexane + benzene + DES1 and n-hexane + benzene + DES2 measured the tie lines of liquid–liquid equilibrium (LLE) data at <i>T</i> = 298.15–318.15 K and at atmospheric pressure. The assumption of DESs as the pseudopure component was performed to investigate pseudoternary LLE, which implies that the DESs remain unaltered in a single phase. DES2 was found to substantially increase the selectivity (<i>S</i>) values for the separation of benzene and n-hexane. The Othmer–Tobias and Bachman correlations were used to evaluate the reliability of the experimental tie-line data. The NRTL model shows a good agreement of the calculated and experimental values of n-hexane + benzene + DES1 with the root-mean-square deviation of 0.0076. The pseudoternary system of n-hexane + benzene + DES2 shows a good agreement with the UNIQUAC model with the RMSD of 0.0095. To verify the tie-line consistency, G<sup>M</sup>/<i>RT</i> was used to topologically analyze the Gibbs mixing energy.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 9\",\"pages\":\"3747–3758\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-08-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00294\",\"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.5c00294\",\"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.5c00294","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}
Toward Evaluation of Diethylene Glycol-Based Deep Eutectic Solvents for the Separation of Benzene and n-Hexane Using Pseudoternary Liquid-Liquid Equilibrium Data
The pseudoternary systems of deep eutectic solvents (DESs) has attracted interest in separation technology due to its novel physicochemical properties. Two DESs of [ChCl][DEG] with molar ratios of 1:4 (DES1) and 1:8 (DES2) were prepared. The pseudoternary systems of n-hexane + benzene + DES1 and n-hexane + benzene + DES2 measured the tie lines of liquid–liquid equilibrium (LLE) data at T = 298.15–318.15 K and at atmospheric pressure. The assumption of DESs as the pseudopure component was performed to investigate pseudoternary LLE, which implies that the DESs remain unaltered in a single phase. DES2 was found to substantially increase the selectivity (S) values for the separation of benzene and n-hexane. The Othmer–Tobias and Bachman correlations were used to evaluate the reliability of the experimental tie-line data. The NRTL model shows a good agreement of the calculated and experimental values of n-hexane + benzene + DES1 with the root-mean-square deviation of 0.0076. The pseudoternary system of n-hexane + benzene + DES2 shows a good agreement with the UNIQUAC model with the RMSD of 0.0095. To verify the tie-line consistency, GM/RT was used to topologically analyze the Gibbs mixing energy.
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.