Journal of Chemical & Engineering Data最新文献_第3页

Density and PvT Behavior of Ethyl Levulinate + CO2 + Ethanol Mixtures at Elevated Temperatures and Pressures 乙酰丙酸乙酯+ CO2 +乙醇混合物在高温高压下的密度和PvT行为

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-24 DOI: 10.1021/acs.jced.6c00268

Benjamín Díaz, Mariana Fortunatti-Montoya, Francisco Adrián Sánchez, Pablo Ezequiel Hegel

{"title":"Density and PvT Behavior of Ethyl Levulinate + CO2 + Ethanol Mixtures at Elevated Temperatures and Pressures","authors":"Benjamín Díaz, Mariana Fortunatti-Montoya, Francisco Adrián Sánchez, Pablo Ezequiel Hegel","doi":"10.1021/acs.jced.6c00268","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00268","url":null,"abstract":"Ethyl levulinate is a promising biomass-derived platformmoleculewith potential applications in green chemistry. The development andoptimization of processes involving ethyl levulinate require reliablethermophysical property data, particularly at high temperatures andpressures. In this work, new volumetric and phase equilibrium datawere obtained for systems containing ethyl levulinate, ethanol, andCO2. New experimental data sets of PvT, were obtained using a high-pressure isochoric cell. Measurementswere carried out over temperatures ranging from 298 to 573 K and pressuresup to 34 MPa. The experimental study includes pure ethyl levulinate,binary systems, as well as the ternary system ethyl levulinate + ethanol+ CO2. These data provide new thermodynamic informationfor ethyl levulinate and expand the available database for these systemsunder high-temperature and high-pressure conditions. The experimentalresults were correlated using the RK-PR EOS and predicted with theGCA EOS. Both models provided comparable performance, yielding AARDvalues of 5.5% and 5.3%, respectively, for the ternary system. Overall,the results show that both models provide a reasonable representationof the phase behavior of these systems, while the new experimentaldata contribute to improving the thermodynamic description of ethyllevulinate-based mixtures under high-pressure conditions.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4265–4278"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124822","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

Experimental and Modeling Study on Phase Equilibrium of CaCl2 Type Oilfield Brine from the Junggar Basin at 398.2 K 准噶尔盆地398.2 K CaCl2型油田卤水相平衡实验与模拟研究

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-25 DOI: 10.1021/acs.jced.6c00385

Xiao-Feng Guo, Bin Wang, Quan Wang, Hong-Xiu Cao, Peng Qiu, He-Qing Chen, Chuan-Yi Liu, Jing-Lei Zhao, Jun-Bing Zhong, Adilijiang Abudusalamu

{"title":"Experimental and Modeling Study on Phase Equilibrium of CaCl2 Type Oilfield Brine from the Junggar Basin at 398.2 K","authors":"Xiao-Feng Guo, Bin Wang, Quan Wang, Hong-Xiu Cao, Peng Qiu, He-Qing Chen, Chuan-Yi Liu, Jing-Lei Zhao, Jun-Bing Zhong, Adilijiang Abudusalamu","doi":"10.1021/acs.jced.6c00385","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00385","url":null,"abstract":"The stable phase equilibria of the quaternary systemNa+, K+, Ca2+//Cl––H2O and its ternary subsystems were systematicallyinvestigatedat 398.2 K using the isothermal dissolution equilibrium method. Theternary system Na+, Ca2+//Cl––H2O contains 1 invariant point, 2 univariant curves,and 2 crystallization regions, with a significant salting-out effectof CaCl2 on NaCl. The ternary system K+, Ca2+//Cl––H2O features 2invariant points, 3 univariant curves, and 3 crystallization regions.The quaternary system exhibits 2 invariant points, 5 univariant curves,and 4 crystallization regions. Based on the Pitzer model, single-saltand mixed-salt parameters, together with the solubility products (lnK) of NaCl and KCl, were obtained using temperature-dependentformulas, while the lnK values of CaCl2·2H2O and KCl·CaCl2 were fitted toexperimental data. The model predictions agree well with the experimentaldata, with small relative errors and highly consistent solubilitycurves. This study fills the gap in phase equilibrium data for thissystem at 398.2 K, confirms the applicability of the Pitzer modelto high-temperature, high-salinity oilfield brines, and provides athermodynamic basis for scaling prediction and brine chemistry managementin deep hydrocarbon development.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4438–4451"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124951","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

Solubility and Metastable-Zone Width Measurement of K2SiF6 in H2O, HCl, and H3PO4 Solutions K2SiF6在H2O、HCl和H3PO4溶液中的溶解度和亚稳带宽度测量

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-03 DOI: 10.1021/acs.jced.6c00081

Zhengwei Yu, Feng Wu, Guoxiong Wang, Yu Zhang, Jiayu Ma, Dongshen He, Junfeng Zhou

{"title":"Solubility and Metastable-Zone Width Measurement of K2SiF6 in H2O, HCl, and H3PO4 Solutions","authors":"Zhengwei Yu, Feng Wu, Guoxiong Wang, Yu Zhang, Jiayu Ma, Dongshen He, Junfeng Zhou","doi":"10.1021/acs.jced.6c00081","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00081","url":null,"abstract":"The solubility and metastable-zone width (MZW) of K2SiF6 in pure water and acid solutions (HCl andH3PO4) were determined respectively by the isothermalmethodand multitemperature conductivity method combined with visual inspection.The effects of saturation temperature (30–70 °C) and thecooling rate (6–24 °C/h) on MZW was investigated. Moreover,the nucleation equation was fitted using the Nývlt equationin classical nucleation theory, and the apparent nucleation order m was calculated. The results showed that the MZW of K2SiF6 narrowed with increasing saturation temperatureand decreasing cooling rate in all investigated systems. The apparentnucleation order m of K2SiF6 in each system increased slightly with increasing temperature. Especially,the m value in H3PO4 solutionwas slightly larger than that in pure water under the same conditions.This study can provide key data and theoretical support for optimizingthe crystallization of K2SiF6 in acid-leachingsolution from phosphorus–potassium-associated ore and preventingscale formation of K2SiF6 in wet-process phosphoricacid (WPA) vacuum filtration.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4375–4385"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124644","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

Solubility Determination of 4-Chlorobenzophenone in Sixteen Pure Solvents: Thermodynamic Correlations and Solvent Effect Analysis 4-氯苯甲酮在16种纯溶剂中的溶解度测定：热力学相关性和溶剂效应分析

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.6c00432

Yujiang Ke, Xiaofang Li, Lemei Huang, Chaohui Che, Kui Wu

{"title":"Solubility Determination of 4-Chlorobenzophenone in Sixteen Pure Solvents: Thermodynamic Correlations and Solvent Effect Analysis","authors":"Yujiang Ke, Xiaofang Li, Lemei Huang, Chaohui Che, Kui Wu","doi":"10.1021/acs.jced.6c00432","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00432","url":null,"abstract":"The solubility behavior of 4-chlorobenzophenone (4-CBP) was measuredin 16 pure solvents (eight alcohols, four ketones, three esters, andacetonitrile) from 271.95 to 324.05 K at atmospheric pressure. X-raypowder diffraction confirmed crystal stability during dissolution,while differential scanning calorimetry determined its melting properties.Five thermodynamic models (modified Apelblat, λh, NRTL, Wilson,and Yaws) were applied to correlate the solubility data. The Kamlet–Abboud–Taftmodel was introduced to decipher solvent effects by deconvolutingcontributions from polarity and hydrogen-bonding. Fitting performancewas evaluated using relative average deviation and root-mean-squaredeviation. Results show that the solubility of 4-CBP increases withrising temperature and that all five models provide satisfactory agreementwith the experimental data. The KAT-LSER analysis reveals the dominantsolvent parameters that govern solubility. Thermodynamic mixing propertiesderived from the Wilson model indicate that dissolution is spontaneousand entropy-driven. This study establishes a comprehensive solubilitydatabase for 4-CBP, providing critical thermodynamic evidence forthe rational design of crystallization processes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4474–4487"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124812","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

Recent Advances in Lithium Sulfide Preparation Routes: Thermodynamics, Phase Behavior, and Scale-Up Challenges 硫化锂制备途径的最新进展：热力学、相行为和扩大规模的挑战

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-22 DOI: 10.1021/acs.jced.6c00439

Zijian Liu, Zelin Liu, Feifei Lv, Congfei Zhu, Bingru Wang, Wanxiang Zhang

{"title":"Recent Advances in Lithium Sulfide Preparation Routes: Thermodynamics, Phase Behavior, and Scale-Up Challenges","authors":"Zijian Liu, Zelin Liu, Feifei Lv, Congfei Zhu, Bingru Wang, Wanxiang Zhang","doi":"10.1021/acs.jced.6c00439","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00439","url":null,"abstract":"The scalable and low-cost preparation of Li2S with application-appropriatepurity and particle characteristics remains a major bottleneck restrictingthe industrialization of next-generation solid-state and lithium–sulfur(Li–S) batteries. This paper systematically reviews the basicproperties, application value, and mainstream preparation routes ofLi2S, focusing on three core synthesis methods: the H2S sulfidation route, the metathesis route, and the Li2SO4 reduction route, as well as supplementary processessuch as the solvent-free thiourea method, mechanochemical synthesis,and plasma-assisted direct Li–S reaction. The thermodynamicdriving forces, phase behavior, mass transfer characteristics, impuritysources, byproduct separation, and engineering scale-up challengesof each route are analyzed and compared. This review points out thefuture development directions of Li2S preparation technology,including developing low-hazard and solvent-lean synthesis systems,establishing standardized impurity detection and purity evaluationmethods, strengthening the integrated design of reaction–separation–recycling,and customizing Li2S morphology and composite structuresaccording to application scenarios. This review is expected to providea quantitative basis for the large-scale, low-cost, and stable preparationof application-tailored Li2S for sulfide solid-state electrolytesand Li–S batteries.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4069–4091"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124916","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

Solid-Liquid Equilibrium in the Quaternary System Na+//Cl–, SO42–, SeO32––H2O at 268.15 and 288.15 K Na+//Cl -, SO42 -， SeO32—H2O在268.15和288.15 K时的固液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-02 DOI: 10.1021/acs.jced.6c00313

Meng-Meng Zhao, Mei-Yan Zhang, Wen-Yan Zheng, Hong-Liang Lv, Zhi Shang, Xue-Ying Wang, Xue-Li Huang

{"title":"Solid-Liquid Equilibrium in the Quaternary System Na+//Cl–, SO42–, SeO32––H2O at 268.15 and 288.15 K","authors":"Meng-Meng Zhao, Mei-Yan Zhang, Wen-Yan Zheng, Hong-Liang Lv, Zhi Shang, Xue-Ying Wang, Xue-Li Huang","doi":"10.1021/acs.jced.6c00313","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00313","url":null,"abstract":"The isothermal dissolution equilibrium method was employedto acquirephase equilibrium data for the quaternary system Na+//Cl–, SO42–, SeO32––H2O at 268.15 and 288.15 K.The construction of the stereo phase diagram, dry salt projectiondiagram, and water content diagram was based on the measured data.The results show that the equilibrium phase diagram of the quaternarysystem at the two temperatures is composed of two invariant points,five univariate curves, and four crystal zones, and no compound saltor solid solution is formed, but the composition of invariant pointsand crystal zones is different. Among them, the crystallization areaof Na2SO4·10H2O is the largest,while that of Na2SeO3·5H2O isthe smallest, indicating that Na2SeO3·5H2O has a higher solubility and is less likely to crystallizeand precipitate in the saturated solution of the system. Meanwhile,Na2SeO3 exhibited a significant salting-outeffect on both Na2SO4 and NaCl. In the multitemperaturecomparison phase diagram, the phase diagram configuration graduallysimplifies with the increase in temperature. Hydrated salts undergodehydration phenomena. At 323.15 K, Na2SO4·10H2O and Na2SeO3·5H2O becomeanhydrous salts. Temperature is the key factor regulating the crystallizationmorphology and phase equilibrium laws of the salts in this quaternarysystem.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4315–4324"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124643","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

Experimental Mapping of the Liquid–Liquid Envelope of Mixtures Alcohol/Water/Salt at Ambient Conditions (297 K and 1 bar). Alcohols: Ethanol and Isopropanol; Salts: Na2CO3 and K2CO3 环境条件下（297 K和1 bar）酒精/水/盐混合物液-液包膜的实验测绘。醇类：乙醇和异丙醇；盐类：Na2CO3和K2CO3

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-04 DOI: 10.1021/acs.jced.6c00382

Mohamed Rayyan Thenmalai, Francisco Ramos-Pallares

{"title":"Experimental Mapping of the Liquid–Liquid Envelope of Mixtures Alcohol/Water/Salt at Ambient Conditions (297 K and 1 bar). Alcohols: Ethanol and Isopropanol; Salts: Na2CO3 and K2CO3","authors":"Mohamed Rayyan Thenmalai, Francisco Ramos-Pallares","doi":"10.1021/acs.jced.6c00382","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00382","url":null,"abstract":"Adding NaCO3 or K2CO3 to a binarymixture ethanol/water or isopropanol/water triggers a liquid–liquidphase split at ambient conditions. One of the phases is rich in alcohol,and the other is rich in water. This phenomenon could be potentiallyused in the development of low-carbon separation technologies foralcohols produced from biomass fermentation. In this study, the phasebehavior of the following mixtures was investigated at ambient conditions:ethanol/water/sodium carbonate (Na2CO3), ethanol/water/potassiumcarbonate (K2CO3), isopropanol/water/Na2CO3, and isopropanol/water/K2CO3. To do so, the entire liquid–liquid (LL) envelopewas experimentally mapped by detecting the liquid ↔ liquid/liquid(L ↔ LL) and liquid/liquid ↔ solid/liquid/liquid (LL↔ SLL) boundaries. LL tie lines were also measured. The measuredLL boundaries and tie lines were used for locating the plait pointusing a well-known methodology. The quality of the data was assessedby using graphical methods that allowed the detection of outliers.The internal consistency of the measured tie lines was verified bycomparing the measured data with pure predictions from the electrolyteversion of the UNIQUAC model. The internal consistency of the measuredL ↔ LL boundary was assessed by comparison with predictionsfrom an empirical model developed by fitting the measured LL tie lines.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4349–4363"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124872","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

Volumetric Properties of Binary and Ternary Mixtures of Choline Chloride-Based Deep Eutectic Solvent with Water at Several Temperatures 氯胆碱基深度共熔溶剂与水在不同温度下二元和三元混合物的体积性质

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.6c00330

Prathiksha Prabhakar, Anantharaj Ramalingam

{"title":"Volumetric Properties of Binary and Ternary Mixtures of Choline Chloride-Based Deep Eutectic Solvent with Water at Several Temperatures","authors":"Prathiksha Prabhakar, Anantharaj Ramalingam","doi":"10.1021/acs.jced.6c00330","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00330","url":null,"abstract":"Densitieswere measured for a series of choline chloride-baseddeep eutectic solvents (DESs) mixed with water over the entire compositionrange at several temperatures. The investigated systems include DESsformed with acids, polyols, and thiourea, as well as ternary DESscontaining mixed hydrogen bond donors. From the experimental densitydata, excess molar volumes (VEm) were calculated and correlated using the Redlich–Kisterpolynomial equation. The excess molar volumes are strongly dependenton composition, temperature, and they deviate significantly from ideality.For all the systems positive VEm values were found, indicating the presence of strong specific interactionsand effective molecular packing following mixing. Variations in H-bondingand structural effects related to the nature and stoichiometry ofthe hydrogen bond donors are reflected in differences in the magnitudeand position of VEm extrema. Thesefindings provide reliable volumetric data and contribute to a betterunderstanding of intermolecular interactions in DES–water mixtures.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4168–4219"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149130633","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

Effect of Novel Surface-Active Ionic Liquids Based on 2-Hydroxyethylammonium Oleate on the Solubility and Thermodynamic Properties of Drug Ibuprofen 基于2-羟乙基油酸铵的新型表面活性离子液体对布洛芬溶解度和热力学性质的影响

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.6c00269

Elaheh Janbezar, Hemayat Shekaari, Bita Yamini, Mohammad Bagheri Hokm Abad

{"title":"Effect of Novel Surface-Active Ionic Liquids Based on 2-Hydroxyethylammonium Oleate on the Solubility and Thermodynamic Properties of Drug Ibuprofen","authors":"Elaheh Janbezar, Hemayat Shekaari, Bita Yamini, Mohammad Bagheri Hokm Abad","doi":"10.1021/acs.jced.6c00269","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00269","url":null,"abstract":"Ibuprofen (IBU), a BCS Class II drug, poses significantchallengesin pharmaceutical formulation due to its poor aqueous solubility andlow bioavailability. In this study, renewable surface-active ionicliquids (SAILs) based on (2-hydroxyethyl)amine were investigated asgreen solubilizing agents for enhancing the aqueous solubility ofIBU. Three SAILs, (2-hydroxyethyl)ammonium oleate ([2-HEA][Ole]),bis(2-hydroxyethyl)ammonium oleate ([BHEA][Ole]), and tris(2-hydroxyethyl)ammoniumoleate ([THEA][Ole]), were synthesized. The equilibrium solubilitywas determined in aqueous SAIL solutions at various SAIL mass fractionsand temperatures (298.15–313.15 K) using the saturation shake-flaskmethod, followed by UV–vis spectrophotometry. The experimentaldata were correlated using the Wilson and electrolyte nonrandom two-liquid(e-NRTL) activity coefficient models. Density functionaltheory (DFT) calculations with the DMol3 module and COSMOsolvation model were performed to investigate intermolecular interactions.The results show IBU solubility increased with increasing SAIL concentrationand temperature, indicating an endothermic and entropy-driven dissolutionprocess. Solubility followed the order [2-HEA][Ole] < [BHEA][Ole]< [THEA][Ole], with [THEA][Ole] providing up to a 34-fold enhancement.The Wilson model correlated the experimental data more accuratelythan the e-NRTL model, with average relative deviationsof approximately 0.20% and 5.34%, respectively.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4128–4143"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124745","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

Isobaric Vapor-Liquid Equilibrium for Systems of Propylene Glycol Monomethyl Ether, Cyclopentanone, N-Methylpyrrolidone at 101.33 kPa 丙二醇单甲醚、环戊酮、n -甲基吡咯烷酮体系在101.33 kPa下的等压汽液平衡

IF 2.4 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2026-10-08 Epub Date: 2026-09-15 DOI: 10.1021/acs.jced.6c00098

Jun Wang, Junmeng Sha, Gang Li, Teng Liu, Chunxiang Huang, Xueni Sun, Hui Shao

{"title":"Isobaric Vapor-Liquid Equilibrium for Systems of Propylene Glycol Monomethyl Ether, Cyclopentanone, N-Methylpyrrolidone at 101.33 kPa","authors":"Jun Wang, Junmeng Sha, Gang Li, Teng Liu, Chunxiang Huang, Xueni Sun, Hui Shao","doi":"10.1021/acs.jced.6c00098","DOIUrl":"https://doi.org/10.1021/acs.jced.6c00098","url":null,"abstract":"Thethin-film release solution for photoresists, formulated withpropylene glycol methyl ether (PM) and cyclopentanone (CPO), is widelyused in semiconductor processes; however, it is difficult to separatedue to concentration-dependent effects. This research focused on examiningthe vapor–liquid phase equilibria of three binary mixturescomposed of the extractive distillation entrainer N-methylpyrrolidone (NMP) and the close-boiling components─propyleneglycol monomethyl ether (PM) or cyclopentanone (CPO)─namely,the NMP–PM, NMP–CPO, and CPO–PM systems. In contrast,the intermolecular interactions between NMP and PM are stronger thanthose in the other two systems. Furthermore, the relative volatilityof CPO compared to PM is also influenced by NMP. The experimentaldata have demonstrated excellent thermodynamic consistency upon verification.A regression analysis of binary-system vapor-liquid equilibrium datawas conducted using the Wilson, NRTL, and UNIQUAC models, with theUNIQUAC model demonstrating superior predictive performance. At solventmolar fractions of 0.7, 0.8, and 0.9, employing the UNIQUAC model,compositional impacts on PM/CPO relative volatility were evaluatedto estimate the minimum equilibrium stages necessary for effectivedistillative separation. This research has demonstrated the feasibilityand effectiveness of using NMP for extraction and distillation separationof PM/CPO at both experimental and theoretical levels.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"71 10","pages":"4251–4264"},"PeriodicalIF":2.4,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149124785","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