Journal of Chemical & Engineering Data最新文献_第2页

An Open, Versioned Database of Deep Eutectic Solvent Thermophysical Properties 一个开放的、版本化的深共晶溶剂热物理性质数据库

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Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-10 DOI: 10.1021/acs.jced.6c00365

Oliver Järvik, Nouman Rafique

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Effect of Pressure on the Azeotropes of the Mixture Isobutyl Acetate–Acetic Acid: Vapor–Liquid Equilibrium at 5, 10, and 40 kPa 压力对乙酸异丁酯-乙酸混合物共沸物的影响：5、10和40 kPa时的汽液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-16 DOI: 10.1021/acs.jced.6c00287

Valentina Schäfer-Vargas, Gabriel E. Peña-Jurado, César A. Sánchez-Correa, Iván D. Gil-Chaves, Gerardo Rodríguez-Niño

{"title":"Effect of Pressure on the Azeotropes of the Mixture Isobutyl Acetate–Acetic Acid: Vapor–Liquid Equilibrium at 5, 10, and 40 kPa","authors":"Valentina Schäfer-Vargas, Gabriel E. Peña-Jurado, César A. Sánchez-Correa, Iván D. Gil-Chaves, Gerardo Rodríguez-Niño","doi":"10.1021/acs.jced.6c00287","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00287","url":null,"abstract":"In this work, phase equilibrium data for the binary mixtureaceticacid (1) + isobutyl acetate (2) were measured at pressures of 5, 10,and 40 kPa using a dynamic recirculation cell (Fischer Labodest VLEmodel 602). The combined analysis of the new experimental measurementsand previously reported experimental data revealed three distinctpressure-dependent regions for the system: a low-pressure region withone azeotrope, an intermediate-pressure region without azeotropes,and a high-pressure polyazeotropic region characterized by two azeotropes.The experimentally obtained data were subjected to a thermodynamicconsistency analysis to validate their reliability and were subsequentlyemployed in a regression procedure to estimate a single set of adjustedparameters for the nonrandom two-liquid (NRTL) model over the entirepressure range studied. These parameters can be directly applied inprocess simulation, separation process design, and the modeling ofintensified operations such as reactive distillation involving theacetic acid–isobutyl acetate system.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4279–4288"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Phase Equilibrium of (Na+, Cs+//Cl––H2O) System at 313.15 K: Focus on [Cs1–x(Na·H2O)x]Cl Solid Solution 313.15 K时（Na+, Cs+//Cl—H2O）体系的相平衡：以[Cs1-x (Na·H2O)x]Cl固溶体为中心

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-28 DOI: 10.1021/acs.jced.6c00327

Linxue Yan, Tianyi Wang, Kangrui Sun, Kangnan Cheng, Jiantuan Jia, Yafei Guo, Tianlong Deng

{"title":"Phase Equilibrium of (Na+, Cs+//Cl––H2O) System at 313.15 K: Focus on [Cs1–x(Na·H2O)x]Cl Solid Solution","authors":"Linxue Yan, Tianyi Wang, Kangrui Sun, Kangnan Cheng, Jiantuan Jia, Yafei Guo, Tianlong Deng","doi":"10.1021/acs.jced.6c00327","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00327","url":null,"abstract":"Theisothermal dissolution equilibrium method was employedto investigatethe phase equilibrium and phase diagram of the ternary system (Na+, Cs+//Cl––H2O) at 313.15 K. This ternary system features the coexistence of doublesalts and solid solutions. The solid solution, formulated as ([Cs1–x(Na·H2O)x]Cl), was characterized by wet-residue analysis,X-ray diffraction, scanning electron microscopy, energy-dispersivespectroscopy, and thermogravimetry–differential scanning calorimetry(TG–DSC). Three representative equilibrium compositions ofthe solid solution and their respective proportions within the crystallizationregion were determined, and the results were compared with those ofthe two pure salts (NaCl and CsCl). The physicochemical property diagramsindicate that both density and refractive index increase with risingcesium chloride content. A comparative phase diagram of the ternarysystem (Na+, Cs+//Cl––H2O) was constructed over the temperature range from 298.15to 318.15 K. The results show that as temperature increases, the crystallizationregion of NaCl expands, whereas the crystallization regions of CsCl·2NaCl·2H2O and [Cs1–x(Na·H2O)x]Cl simultaneously contract.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4397–4406"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124903","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Viscosity Correlation for Binary Mixtures of Ethyl Octanoate and n-Alcohols Using an Improved MTSM Model 基于改进MTSM模型的辛酸乙酯与正醇二元混合物粘度相关性研究

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-06-18 DOI: 10.1021/acs.jced.6c00010

Xiaojie Wang, Chengyuan Peng, Zhiqiang Hong, Jidong Liu, Chenkai Dai, Yingjie Ma, Jianing Huo, Yujie Yang, Bangbang Han, Lide Fang

{"title":"Viscosity Correlation for Binary Mixtures of Ethyl Octanoate and n-Alcohols Using an Improved MTSM Model","authors":"Xiaojie Wang, Chengyuan Peng, Zhiqiang Hong, Jidong Liu, Chenkai Dai, Yingjie Ma, Jianing Huo, Yujie Yang, Bangbang Han, Lide Fang","doi":"10.1021/acs.jced.6c00010","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00010","url":null,"abstract":"The viscosities of binary mixtures of ethyl octanoateand C3/C5–C7 n-alcohols were investigatedon the basis of experimentaldata measured with a self-designed capillary viscometer over the temperaturerange of 293–333 K, using four models [modified two-suffix-Margules(MTSM), nonrandom two-liquid, Frenkel, and Jouyban–Acree).The MTSM model shows better accuracy. To improve predictive accuracy,a correction term H related to equivalent molar mass was introduced,incorporating molecular weight effects. The correlation coefficientbetween H and the ln η is 0.95. The averagedeviation of the improved MTSM model is reduced by 3.44 × 10–4, the interquartile range of the distribution of absoluterelative deviation decreased by 0.26%, and the average absolute relativedeviation is reduced by 0.30%, compared to the original MTSM model,overall. This study improved viscosity data and an improved predictiveapproach for ethyl octanoate + n-alcohol mixtures.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4092–4106"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149130627","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Densities, Viscosities, and CO2 Solubility in [C4mim][TFSA]–Diglyme Mixtures [C4mim][TFSA] -二lyme混合物中的密度、粘度和CO2溶解度

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-10 DOI: 10.1021/acs.jced.6c00362

Takuya Shimomura, Daisuke Kodama, Mitsuhiro Kanakubo

{"title":"Densities, Viscosities, and CO2 Solubility in [C4mim][TFSA]–Diglyme Mixtures","authors":"Takuya Shimomura, Daisuke Kodama, Mitsuhiro Kanakubo","doi":"10.1021/acs.jced.6c00362","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00362","url":null,"abstract":"The densities and viscosities of mixtures of 1-butyl-3-methylimidazoliumbis(trifluoromethanesulfonyl)amide ([C4mim][TFSA]) withdiethylene glycol dimethyl ether (diglyme) were measured over thetemperature range from 273.15 to 333.15 K. The excess molar volumesand viscosity deviations were determined from the density and viscositydata. Both excess molar volumes and viscosity deviations showed negativevalues over the entire composition range. The magnitude of the excessmolar volumes increased slightly with increasing temperature, whereasthat of the viscosity deviations increased remarkably with decreasingtemperature. The mole-fraction-scaled solubilities of CO2 in four [C4mim][TFSA]–diglyme mixtures were measuredat 313.15 K, together with the saturated liquid densities. The CO2 concentration per liquid volume increased with increasingdiglyme content, particularly in the diglyme-rich region. The relativevolume changes and apparent molar volumes of CO2 indicatedthat the volumetric behavior upon CO2 absorption dependson both the amount of absorbed CO2 and the liquid composition.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4228–4235"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Capillary Constant and Surface Tension of the Propane–Nitrogen Solutions 丙烷-氮气溶液的毛细常数和表面张力

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-11 DOI: 10.1021/acs.jced.6c00364

Valentina N. Andbaeva, Maria N. Khotienkova

{"title":"Capillary Constant and Surface Tension of the Propane–Nitrogen Solutions","authors":"Valentina N. Andbaeva, Maria N. Khotienkova","doi":"10.1021/acs.jced.6c00364","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00364","url":null,"abstract":"This paper presents experimentaldata on the capillaryconstantand the surface tension of a propane–nitrogen binary solutionin the temperature range from 308.15 to 360.15 K at pressures fromthe saturation pressure of pure propane up to 4 MPa. The concentrationof nitrogen in the solution, as well as the orthobaric densities ofthe liquid and gas phases, was determined from the equation of stateof the solution. A new correlation for the surface tension of purepropane has been obtained. The temperature and concentration dependencesof the capillary constant and the surface tension of the solutionwere approximated by empirical functions, whose coefficients weredetermined by regression analysis. The maximum deviations of the proposedequations from the experimental data do not exceed 0.04 mm2 (for the capillary constant) and 0.08 mN·m–1 (for the surface tension). It is shown that the surface tensionof the propane–nitrogen solution decreases with an increasein temperature and nitrogen concentration. The surface tension ofthe solution was calculated by the Parachor method. The results areapplicable to the optimization of processes involving liquefied hydrocarbongases and engineering calculations in the gas sector.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4241–4250"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Solubility Behavior of Baloxavir Marboxil in 13 Pure Solvents: Combined Experimental Measurement and Molecular Simulation Analysis Baloxavir Marboxil在13种纯溶剂中的溶解度行为：实验测量与分子模拟分析相结合

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-18 DOI: 10.1021/acs.jced.6c00387

Xin-Yu Sun, Ping Xu, Yi-Tong Yin, Ru-Xue Wang, Zhen-Guo Gao, Fu-Min Xue, He-Mei Yin

{"title":"Solubility Behavior of Baloxavir Marboxil in 13 Pure Solvents: Combined Experimental Measurement and Molecular Simulation Analysis","authors":"Xin-Yu Sun, Ping Xu, Yi-Tong Yin, Ru-Xue Wang, Zhen-Guo Gao, Fu-Min Xue, He-Mei Yin","doi":"10.1021/acs.jced.6c00387","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00387","url":null,"abstract":"This study was designed to determinethe solubility ofBaloxavirmarboxil (BXM) in 13 solvents (i.e., water, methanol, ethanol, n-propanol, i-propanol, i-butanol, s-butanol, n-pentanol, i-pentanol, acetone, ethyl formate, ethyl acetate, pentylacetate) by high-performance liquid chromatography (HPLC) over thetemperature range of 283.15 to 323.15 K, so as to investigate itssolid–liquid equilibrium behavior. Among all experimental solvents,BXM has the highest solubility in acetone and the lowest solubilityin water. The solubility of BXM in all solvents increases with increasingtemperature. Based on the solid–liquid equilibrium theory,the modified Apelblat, λh, and Yaws thermodynamicmodels were used to fit the experimental solubility data. Among the13 pure solvents, the modified Apelblat model showed a slightly betterfit to the experimental data than the other two models, with a relativeaverage deviation (RAD) of 1.46 × 10–2 and a root mean square deviation (RMSD) of 9.30× 10–6. Finally, the solubility of BXM waspredicted via molecular simulation, which unravels the influencingmechanism of solute and solvent intermolecular interactions and solvationeffects on the dissolution process. The solubility data of BXM willprovide theoretical guidance for the design and optimization of crystallizationprocesses.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4452–4463"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Correlation and Prediction of Liquid–Liquid and Solid-Liquid Equilibrium for the Phenol (C6H5OH) + n-Hexane (C6H14) Binary System Using the NRTL and COSMO-Based Models 苯酚(C6H5OH) +正己烷（C6H14）二元体系液-液和固-液平衡的相关性及基于NRTL和cosmos模型的预测

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-16 DOI: 10.1021/acs.jced.6c00348

Gabrielly Miyazaki, Abdulalim Ibrahim, Christophe Coquelet

{"title":"Correlation and Prediction of Liquid–Liquid and Solid-Liquid Equilibrium for the Phenol (C6H5OH) + n-Hexane (C6H14) Binary System Using the NRTL and COSMO-Based Models","authors":"Gabrielly Miyazaki, Abdulalim Ibrahim, Christophe Coquelet","doi":"10.1021/acs.jced.6c00348","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00348","url":null,"abstract":"This study investigates the thermodynamic phase behaviorof thebinary system phenol (C6H5OH) + n-hexane (C6H14), a mixture relevant to separationprocesses in refining and coal conversion. Liquid–liquid equilibrium(LLE) and solid–liquid equilibrium (SLE) data were measuredat atmospheric pressure, providing an independent, internally consistentdataset that verifies and complements the available literature data.The system exhibits strong non-ideality, with a broad miscibilitygap, an upper critical solution temperature (UCST) of 325.62 K, anda deep freezing-point depression in the SLE region. The data werecorrelated using the Non-Random Two-Liquid (NRTL) model, with a singleset of temperature-dependent binary interaction parameters regressedsimultaneously to both equilibria, giving a thermodynamically consistentrepresentation of the complete phase diagram. The predictive capabilitiesof the COSMO-RS and COSMO-SAC (2010) models were evaluated using molecularσ-profiles generated via DFT calculations (M06-2X/6-311+G(2d,p)). While the correlated NRTL model best described theLLE region, the fully predictive COSMO-SAC model reproduced the SLEliquidus with an accuracy (RMSD = 0.0133) better than the correlatedNRTL model (RMSD = 0.0347). These results suggest that while NRTLremains the standard for rigorous process simulation, COSMO-basedapproaches offer a reliable alternative for screening solubility inpolar–nonpolar systems where experimental data are scarce.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4336–4348"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Solid–Liquid Equilibria of the K+,Al3+//SO42–-H2O and Rb+,Al3+//SO42–-H2O Systems at 298.15 and 323.15 K 298.15 K和323.15 K下K+，Al3+//SO42—H2O和Rb+，Al3+//SO42—H2O体系的固液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-19 DOI: 10.1021/acs.jced.6c00192

Zhiwen Jin, Yubo Liu, Baozhong Ma, Chengyan Wang, Yongqiang Chen

{"title":"Solid–Liquid Equilibria of the K+,Al3+//SO42–-H2O and Rb+,Al3+//SO42–-H2O Systems at 298.15 and 323.15 K","authors":"Zhiwen Jin, Yubo Liu, Baozhong Ma, Chengyan Wang, Yongqiang Chen","doi":"10.1021/acs.jced.6c00192","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00192","url":null,"abstract":"Rubidium is currently extracted primarily from rubidiumores, andits low-grade and complex associated components lead to difficultseparation and high production costs, hindering large-scale utilization.Alum salt precipitation is a low-cost and industrializable methodfor K–Rb separation, while its phase equilibrium theory isunderdeveloped. This work studies the phase equilibrium of multicomponentsulfate systems to support rubidium purification. The isothermal dissolutionequilibrium method was utilized to explore the existing forms of potassiumsalts, rubidium salts, and aluminum salts in the sulfate system. Thesolubility and density of the K+,Al3+//SO42–-H2O and Rb+,Al3+//SO42–-H2O systemswere determined at 298.15 and 323.15 K. The experimental data wereutilized to generate the phase diagrams and density-composition diagramsfor the two systems at distinct temperatures. For the K+,Al3+//SO42–-H2O and Rb+,Al3+//SO42–-H2O systems, the crystallization regions decrease withincreasing temperature, while the crystallization form remains unchanged.The crystallization regions of KAl(SO4)2 ·12H2O and RbAl(SO4)2 · 12H2O occupy the largest area at both temperatures. The K+,Al3+//SO42–-H2O and Rb+,Al3+//SO42–-H2O subsystems advance the phase diagram research ofthe quaternary K+,Rb+,Al3+//SO42–-H2O system, complement missingphase equilibrium data, and provide basic thermodynamic parametersfor K and Rb separation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4386–4396"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Thermodynamics and Activity Coefficients at Infinite Dilution for Organic Compounds in the Ionic Liquid 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethylsulfonyl)imide 离子液体1-丁基-2,3-二甲基咪唑双（三氟甲基磺酰基）亚胺中有机化合物无限稀释的热力学和活度系数

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-14 DOI: 10.1021/acs.jced.6c00307

Jia-Wei Qu, Shao-Xuan Zhong, Xu-Long Qi, Long Huang, Ming-Lan Ge

{"title":"Thermodynamics and Activity Coefficients at Infinite Dilution for Organic Compounds in the Ionic Liquid 1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethylsulfonyl)imide","authors":"Jia-Wei Qu, Shao-Xuan Zhong, Xu-Long Qi, Long Huang, Ming-Lan Ge","doi":"10.1021/acs.jced.6c00307","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00307","url":null,"abstract":"The activity coefficients at infinite dilution (γ∞i) of 30 organic solutes (including alkanes,aromatics, acetonitrile, acetone, tetrahydrofuran, ethyl acetate,and chloromethanes) in the ionic liquid (IL) 1-butyl-2,3-dimethylimidazoliumbis(trifluoromethylsulfonyl)imide ([BMMIM][NTf2]) weremeasured over the temperature range 313.15–353.15 K using gas–liquidchromatography. The temperature dependence of the IL density was determinedat p = 101.33 kPa, and the gas–liquid partitioncoefficients (KL) were calculated accordingly.From the temperature dependence of γ∞i, the partial molar excess enthalpies at infinite dilution (H̅E,∞i) were derived, and the entropies(TrefS̅E,∞i) and partial molar excess Gibbs free energies (G̅E,∞i) at the reference temperature Tref = 298.15 K were obtained. The solubility parameter(δ) of [BMMIM][NTf2] was determined using regularsolution theory combined with the Flory combinatorial term, and solute–ILinteractions were quantitatively assessed using a linear free energyrelationship model. In addition, the selectivity (S∞ij) for n-hexane/solute systems at 313.15K was calculated and compared with values reported in the literaturefor other [NTf2]-based ILs.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4144–4155"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0