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

Synthesis and Characterization of the Choline-Amino Acid Ionic Liquids [Ch][Ala], [Ch]2[Glut], and [Ch][Threo] and Their Aqueous Binary Solutions 胆碱-氨基酸离子液体[Ch][Ala]、[Ch]2[Glut]和[Ch][Threo]及其二元水溶液的合成与表征

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-10 DOI: 10.1021/acs.jced.5c0001410.1021/acs.jced.5c00014

Pedro Velho*, Ricardo A. Oliveira and Eugénia A. Macedo*,

{"title":"Synthesis and Characterization of the Choline-Amino Acid Ionic Liquids [Ch][Ala], [Ch]2[Glut], and [Ch][Threo] and Their Aqueous Binary Solutions","authors":"Pedro Velho*, Ricardo A. Oliveira and Eugénia A. Macedo*, ","doi":"10.1021/acs.jced.5c0001410.1021/acs.jced.5c00014","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00014https://doi.org/10.1021/acs.jced.5c00014","url":null,"abstract":"In this work, the synthesis of the choline-amino acid ionic liquids (CAAILs) cholinium alaninate ([Ch][Ala]), dicholinium glutamate ([Ch]2[Glut]) and cholinium threoninate ([Ch][Threo]) was conducted at 313.15 K and 0.1 MPa. Then, after validating the chemical structure of the CAAILs, the binary aqueous solutions containing [Ch]2[Glut] and [Ch][Threo] were characterized by measuring liquid density, refractive index, electrical conductivity, dynamic viscosity, torque and shear stress. For [Ch][Ala], only refractive index was determined, as the other properties were already addressed in a previous work of the research group. The liquid densities (ρ) of the binary solutions were assessed at 288.15, 293.15, 298.15, 303.15, and 308.15 K and 0.1 MPa, and correlated with the Connors and Wright model, presenting low standard deviations (0.37 < σSD kg·m–3 < 1.40). Then, the calculated excess volumes (VmE) were correlated with third-degree polynomials (0.0447 < σSD·106 / m3·mol–1 < 0.0729) and Redlich–Kister expansions (0.040 < σSD·106 / m3·mol–1 < 0.082), while dynamic viscosities (μ), torque (τ) and shear stress (σ) were measured at 288.15–308.15 K and 0.1 MPa and described using an Arrhenius linearization (1.14 < σSD·102 < 2.32). Finally, the ionicity (or degree of dissociation, α) of each CAAIL in the binary solutions was determined with composition using the Walden plot methodology, at 298.15 K and 0.1 MPa.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1983–1993 1983–1993"},"PeriodicalIF":2.0,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917019","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

Measurements and Correlations of Density, Viscosity, and Vapor Pressure for Monomethyl Azelate, Dimethyl Azelate, Monoethyl Azelate, and Diethyl Azelate 测量和密度的相关性，粘度，和蒸汽压的单甲氮氧酸盐，二甲基氮氧酸盐，单乙基氮氧酸盐，二乙基氮氧酸盐

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-08 DOI: 10.1021/acs.jced.4c0066710.1021/acs.jced.4c00667

Xiaojiang Liang, Xuelei Ye, Haotian Fei, Wenhao Li, Yuan Zhang, Weiwei Chen, Jianan Luo and Yong Nie*,

{"title":"Measurements and Correlations of Density, Viscosity, and Vapor Pressure for Monomethyl Azelate, Dimethyl Azelate, Monoethyl Azelate, and Diethyl Azelate","authors":"Xiaojiang Liang, Xuelei Ye, Haotian Fei, Wenhao Li, Yuan Zhang, Weiwei Chen, Jianan Luo and Yong Nie*, ","doi":"10.1021/acs.jced.4c0066710.1021/acs.jced.4c00667","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00667https://doi.org/10.1021/acs.jced.4c00667","url":null,"abstract":"Biobased azelaic acid and its esters are important organic compounds with various applications in the chemical industry. In this work, the density and viscosity of monomethyl azelate, dimethyl azelate, monoethyl azelate, and diethyl azelate were measured within the temperature range of T = (293.15 to 343.15) K at atmospheric pressure. Additionally, the vapor pressure of these compounds was determined within the temperature range of T = (411.15 to 435.45, 370.10 to 431.15, 413.15 to 441.15, 388.35 to 444.95) K. To analyze the experimental data, temperature-dependent correlation equations were employed, resulting in correlation coefficients greater than 0.99 for all equations. Furthermore, the molar enthalpy of vaporization was calculated at the average temperature of the experimental range using the Clausius–Clapeyron equation. Overall, these findings offer valuable insights for improving synthesis processes and guiding future applications.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1882–1890 1882–1890"},"PeriodicalIF":2.0,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917197","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

Investigation of CO2 Absorption and Physicochemical Properties of Deep Eutectic Solvents Based on Amine Hydrohalides and Alkanolamines 基于胺氢卤化物和烷醇胺的深度共晶溶剂对CO2的吸收及理化性质研究

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-07 DOI: 10.1021/acs.jced.4c0074110.1021/acs.jced.4c00741

Dmitriy M. Makarov*, Yuliya A. Fadeeva, Michael A. Krestyaninov, Maksim S. Kuzmikov, Vasiliy Golubev and Arkadiy M. Kolker,

{"title":"Investigation of CO2 Absorption and Physicochemical Properties of Deep Eutectic Solvents Based on Amine Hydrohalides and Alkanolamines","authors":"Dmitriy M. Makarov*, Yuliya A. Fadeeva, Michael A. Krestyaninov, Maksim S. Kuzmikov, Vasiliy Golubev and Arkadiy M. Kolker, ","doi":"10.1021/acs.jced.4c0074110.1021/acs.jced.4c00741","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00741https://doi.org/10.1021/acs.jced.4c00741","url":null,"abstract":"This study focused on deep eutectic solvents (DESs) comprising ethylamine hydrochloride (EACl), butylamine hydrobromide (BABr), and octylamine hydrobromide (OABr) as hydrogen bond acceptors, paired with alkanolamines (monoethanolamine, 1-aminopropan-2-ol, 2-(methylamino)ethanol, and 3-amino-1-propanol) as hydrogen bond donors. The CO2 capture and phase transitions in these DESs were thoroughly investigated. Structural changes induced by CO2 absorption were examined using NMR and FTIR spectroscopy. Temperature-dependent physicochemical properties, including density and viscosity, were measured and modeled using linear equations and the Vogel–Tammann–Fulcher equation, respectively. The effects of the alkyl chain length of the salt cation and the structure of the alkanolamine on CO2 absorption capacity and physicochemical properties were systematically analyzed. Among the DESs studied, the combination of EACl and monoethanolamine demonstrated a notable CO2 absorption capacity of 0.27 g CO2 per g DES. Quantum chemical calculations were employed to elucidate the interaction mechanisms between EACl and monoethanolamine, as well as their interactions with CO2.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1907–1917 1907–1917"},"PeriodicalIF":2.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917261","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

Studies on Interactional Behavior of Anticoagulant Drug Aspirin in Aqueous Environments through Physicochemical and Spectroscopic Methods 抗凝药物阿司匹林在水环境中相互作用的理化和光谱研究

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-07 DOI: 10.1021/acs.jced.4c0056810.1021/acs.jced.4c00568

Parveen Kumar, Inesh Kumar, Shiwali Thakur and Sunil Kumar*,

{"title":"Studies on Interactional Behavior of Anticoagulant Drug Aspirin in Aqueous Environments through Physicochemical and Spectroscopic Methods","authors":"Parveen Kumar, Inesh Kumar, Shiwali Thakur and Sunil Kumar*, ","doi":"10.1021/acs.jced.4c0056810.1021/acs.jced.4c00568","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00568https://doi.org/10.1021/acs.jced.4c00568","url":null,"abstract":"A comprehensive analysis of the interactional behavior of aspirin in water is conducted by performing physicochemical, spectroscopic, and cyclic voltammetric studies. The physicochemical properties were evaluated by measuring the densities, sound speeds, conductance, and viscosity values for aqueous solutions of aspirin with varying concentrations (0.001–0.010) mol kg–1 at four distinct temperatures (300.15–315.15) K. The experimental data was further used to calculate various physicochemical parameters. On increasing temperature, the values of ΦvO increased from 126.83 to 134.50 and ΦKO increased from −6.77 to −3.45, suggesting strong drug–water interactions. A similar trend prevailed in ΦEO, revealing the presence of the caging effect and structure-making behavior of aspirin. Moreover, hyperchromic shift in UV–visible spectrum, quenching in fluorescence spectra, and shift in FTIR spectrum (recorded at T/K = 298.15 and P/MPa = 0.1) strongly validate and strengthen the results of strong intermolecular interactions derived from the physicochemical data. The cyclic voltammetry technique was employed to investigate the electrochemical response of aspirin. The current investigation revealed valuable information on the stability, solubility, electrochemical properties, and intermolecular interactions of aspirin in water. The findings could be helpful, particularly in drug delivery systems, ensuring better therapeutic outcomes and making the research highly relevant for pharmaceutical applications.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1818–1829 1818–1829"},"PeriodicalIF":2.0,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917263","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

Exploring the Molecular Interactions between d-Glucose and Imidazolium-Based Ionic Liquid in Aqueous Mediums at T = (288.15–318.15) K through a Physicochemical Approach 在T = (288.15-318.15) K条件下，用物理化学方法研究d-葡萄糖与咪唑基离子液体之间的分子相互作用

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-04 DOI: 10.1021/acs.jced.4c0074810.1021/acs.jced.4c00748

Ankita S. Chandak, and , Sangesh P. Zodape*,

{"title":"Exploring the Molecular Interactions between d-Glucose and Imidazolium-Based Ionic Liquid in Aqueous Mediums at T = (288.15–318.15) K through a Physicochemical Approach","authors":"Ankita S. Chandak,  and , Sangesh P. Zodape*, ","doi":"10.1021/acs.jced.4c0074810.1021/acs.jced.4c00748","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00748https://doi.org/10.1021/acs.jced.4c00748","url":null,"abstract":"Understanding biopolymer-ionic liquid interactions is key to the solvation and dissolution mechanisms. For a deeper understanding of structural interactions, it is essential to have accurate physiochemical data on the imidazolium-based IL and biopolymer model compound (d-glucose) in aqueous solutions. In this regard, we studied the volumetric and compressibility properties of d-glucose in aqueous and aqueous 0.05, 0.10, and 0.15 mol·kg–1 1-methyl imidazole trifluoromethanesulfonate [MIm][OTf] ionic liquid solutions at various concentrations and temperatures. The limiting apparent molar volume of the solute (Vϕ0) and compressibility of the solute (KS,ϕ0) properties were used to interpret the strength and extent of solute–solvent interactions in the studied systems. The observed increase in Vϕ0 and KS,ϕ0 with temperature and [MIm][OTf] concentration suggests the dehydration effect of [MIm][OTf] on d-glucose solutions. Moreover, to study the potential solute-co-solute interactions, transfer volume (ΔtrVϕ0) and transfer compressibility (ΔtrKs,ϕ0) have been computed. The positive outcome of ΔtrVϕ0 and ΔtrKs,ϕ0 data reveals the dominance of hydrophilic-cation interactions. The kosmotropic nature of d-glucose in aqueous [MIm][OTf] solutions is confirmed by the positive Hepler’s constant values. Overall, this study sheds light on several physicochemical interactions occurring in the systems and shows the presence of significant attractive interactions among [MIm][OTf] and d-glucose.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1956–1970 1956–1970"},"PeriodicalIF":2.0,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917256","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

Investigation on 2-Mercapto-5-methyl-1,3,4-thiadiazole Solubility in Twelve Kinds of Organic Monosolvents Based on Models, Thermodynamic Analysis, and Solvent Effect 基于模型、热力学分析和溶剂效应的2-巯基-5-甲基-1,3,4-噻二唑在12种有机单溶剂中的溶解度研究

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-03 DOI: 10.1021/acs.jced.5c0009310.1021/acs.jced.5c00093

Yaqi Han, Fumin Xue, Wenguo Xing, Huanhuan Yin, Xiangchuan Wang and Shuai Yu*,

{"title":"Investigation on 2-Mercapto-5-methyl-1,3,4-thiadiazole Solubility in Twelve Kinds of Organic Monosolvents Based on Models, Thermodynamic Analysis, and Solvent Effect","authors":"Yaqi Han, Fumin Xue, Wenguo Xing, Huanhuan Yin, Xiangchuan Wang and Shuai Yu*, ","doi":"10.1021/acs.jced.5c0009310.1021/acs.jced.5c00093","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00093https://doi.org/10.1021/acs.jced.5c00093","url":null,"abstract":"Solid–liquid equilibrium solubilities of 2-mercapto-5-methyl-1,3,4-thiadiazole (MMTD) in 12 kinds of monosolvents (i.e., methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, ethyl formate, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, and amyl acetate) were determined by a gravimetric method with the temperature range from 283.15 to 323.15 K. In alcoholic solvents, the solubility order is ethanol > methanol > n-propanol > i-propanol > n-butanol > i-butanol. In ester solvents, the solubility of MMTD ranking is methyl acetate > ethyl acetate > propyl acetate > butyl acetate > amyl acetate > ethyl formate. The solubility of MMTD increased with increasing temperature. Four thermodynamic models (i.e., the modified Apelblat model, the λh model, the Wilson model, and the Jouyban model) were selected to correlate the solubility data. The RAD and RMSD values were less than 0.0254 and 0.000536, respectively. The Wilson model had the best-fitting effect. The KAT-LSER model and Hansen solubility parameters were used to explain the solvent effect in this work. The Hirshfeld surface, molecular electrostatic potential surface, and free energy of solvation were used to explain the interactions between molecules. Dissolution properties of MMTD were calculated by the Wilson model. The dissolution process of MMTD is endothermic, entropy driven, and spontaneous.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2139–2154 2139–2154"},"PeriodicalIF":2.0,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916978","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

Exploration of the Thermodynamic Parameters of Glycine, Alanine, and Their Dipeptides as a Function of Temperature (278.15–323.15 K) 甘氨酸、丙氨酸及其二肽热力学参数随温度（278.15-323.15 K）变化的探索

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-03 DOI: 10.1021/acs.jced.4c0047810.1021/acs.jced.4c00478

Kirtanjot Kaur*,

{"title":"Exploration of the Thermodynamic Parameters of Glycine, Alanine, and Their Dipeptides as a Function of Temperature (278.15–323.15 K)","authors":"Kirtanjot Kaur*, ","doi":"10.1021/acs.jced.4c0047810.1021/acs.jced.4c00478","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00478https://doi.org/10.1021/acs.jced.4c00478","url":null,"abstract":"This study investigates the thermodynamic behavior of amino acids (glycine, alanine) and peptides (glycylglycine, alanine-alanine) in aqueous solutions over a temperature range of 278.15–323.15 K. Densities and speeds of sound were measured for three concentrations (0.01, 0.05, and 0.1 mol/kg) at 1 K intervals. From the density and speed of sound data, key parameters, such as apparent molar volume and apparent molar adiabatic compressibility, have been derived. These parameters were analyzed to elucidate ion–ion and ion–solvent interactions within the solutions. Least squares fitting was employed to determine coefficients for density, speed of sound, thermal expansion, apparent molar volume, isentropic compressibility, and apparent molar isentropic compressibility. The thermal expansion coefficient (α), reflecting the temperature dependence of densities, was evaluated and analyzed alongside apparent molar expansibility (VE). Trends in α and VE highlight the significant influence of the solute’s structural formulas, with hydrophobic interactions playing a crucial role in altering the solvent structure around the solutes. These findings provide insight into the temperature-dependent thermodynamic properties of amino acids and peptides in aqueous environments.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1801–1817 1801–1817"},"PeriodicalIF":2.0,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917045","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

Investigation on Dissolution of S-Ketoprofen in Aqueous Mixtures: Solubility Measurement and Model Correlation, Co-Solvency, Solvent Effect, and Preferential Solvation s -酮洛芬在水溶液中的溶解研究：溶解度测量和模型相关性、共溶性、溶剂效应和优先溶剂化

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-03 DOI: 10.1021/acs.jced.5c0002410.1021/acs.jced.5c00024

Wenjie Cai, Yingchun Xie, Yutong Liu, Yang Cong* and Cheli Wang*,

{"title":"Investigation on Dissolution of S-Ketoprofen in Aqueous Mixtures: Solubility Measurement and Model Correlation, Co-Solvency, Solvent Effect, and Preferential Solvation","authors":"Wenjie Cai, Yingchun Xie, Yutong Liu, Yang Cong* and Cheli Wang*, ","doi":"10.1021/acs.jced.5c0002410.1021/acs.jced.5c00024","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00024https://doi.org/10.1021/acs.jced.5c00024","url":null,"abstract":"The solubility remains critical in drugs development, manufacturing, and application. S-Ketoprofen (SKTP) solubility in methanol/ethanol/2-propanol/acetone + water (278.15–318.15 K) was measured by the isothermal saturation technique. The impacts of solvent effect, Hansen solubility parameters (HSPs), and preferential solvation on solubility and model correlation were analyzed. The SKTP solubility increased with decreasing water content in alcohols–water but exhibited cosolvency at w = 0.80 in acetone–water; the maximum mole fraction solubility is 0.1072. The HSPs explained the occurrence of cosolvency molecularly (minimum Δδt = 0.08 at w = 0.80, acetone composition). The solvent effect analysis showed that solute–solvent or solvent–solvent interactions account for 63.44 and 32.60% of solvent effect. Thus, hydrogen bonding and nonspecific dipolarity/polarizability interactions dominate SKTP dissolution. The preferential solvation investigation indicated that SKTP was preferentially dissolved by cosolvents within 0.32 < x1 < 1 for methanol–water, 0.23 < x1 < 1 for ethanol–water, 0.17 < x1 < 1 for 2-propanol–water, and 0.21 < x1 < 0.55 for acetone–water but preferentially dissolved by water in other region. The correlation results suggested that the maximum values of relative average deviation and root-mean-square deviation were 4.84% and 9.45 × 10–4, thus Apelbat–Jouyban–Acree, Jouyban–Acree, and van’t Hoff–Jouyban–Acree models can correlate the solubility data accurately.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"2088–2102 2088–2102"},"PeriodicalIF":2.0,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143916976","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

Study of Molecular Interactions between Potassium Chloride and Ionic Liquid 1-Methyl-3-propylimidazolium Iodide in Aqueous Solutions at Different Temperatures: A Thermodynamic Approach 不同温度下氯化钾与离子液体1-甲基-3-丙基咪唑碘化物分子相互作用的热力学研究

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-01 DOI: 10.1021/acs.jced.4c0075010.1021/acs.jced.4c00750

Vandana Patel, Anuja Jain, Ankita S. Chandak and Sangesh P. Zodape*,

{"title":"Study of Molecular Interactions between Potassium Chloride and Ionic Liquid 1-Methyl-3-propylimidazolium Iodide in Aqueous Solutions at Different Temperatures: A Thermodynamic Approach","authors":"Vandana Patel, Anuja Jain, Ankita S. Chandak and Sangesh P. Zodape*, ","doi":"10.1021/acs.jced.4c0075010.1021/acs.jced.4c00750","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00750https://doi.org/10.1021/acs.jced.4c00750","url":null,"abstract":"In the present communication, we report the experimental measurements of density and speed of sound for potassium chloride (KCl) in aqueous 0.05 and 0.10 mol·kg–1 1-methyl-3-propylimidazolium iodide ([MPIm][I]) ionic liquid solutions at 288.15–318.15 K. Further, the experimental density and speed of sound data were utilized to calculate apparent molar volume of solute, apparent molar volume of solute at infinite dilution, apparent molar expansivity of solute at infinite dilution, isentropic compressibility of solution, apparent molar isentropic compressibility of solute, and apparent molar isentropic compressibility of solute at infinite dilution at studied temperatures. From Hepler’s constant outcomes, the structure-making or structure-breaking behavior of the solute has been evaluated in the studied aqueous ternary solutions. The results shed light on the potential of ionic liquids in optimizing industrial processes, such as tribology, extraction methods, and energy-related applications, by revealing significant solute–solute and solute–solvent interactions. This work contributes to a deeper understanding of the influence of ionic liquids on electrolyte behavior in aqueous media, highlighting its broader industrial and scientific relevance.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 5","pages":"1971–1982 1971–1982"},"PeriodicalIF":2.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143917015","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

Liquid–Liquid Extraction of Toluene from n-Heptane with [emim][FSI], [emim][Tf2N], [emim][BETI], [emim][DCA], and [emim][TCM] [emim][FSI]、[emim][Tf2N]、[emim][BETI]、[emim][DCA]、[emim][TCM]液-液萃取正庚烷中甲苯

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-04-01 DOI: 10.1021/acs.jced.5c0000210.1021/acs.jced.5c00002

Michael J. Lubben, Brian T. Beeson, Tangqiumei Song and Joan F. Brennecke*,

{"title":"Liquid–Liquid Extraction of Toluene from n-Heptane with [emim][FSI], [emim][Tf2N], [emim][BETI], [emim][DCA], and [emim][TCM]","authors":"Michael J. Lubben, Brian T. Beeson, Tangqiumei Song and Joan F. Brennecke*, ","doi":"10.1021/acs.jced.5c0000210.1021/acs.jced.5c00002","DOIUrl":"https://doi.org/10.1021/acs.jced.5c00002https://doi.org/10.1021/acs.jced.5c00002","url":null,"abstract":"Ionic liquids (ILs) (e.g., 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim][Tf2N])) have been widely investigated as solvents for liquid–liquid extraction of aromatics from aliphatics. Here, we present new liquid–liquid equilibrium (LLE) data with n-heptane and toluene at 295.0 K for two similar ILs, 1-ethyl-3-methylimidazolium bis(pentafluoroethylsulfonyl)imide ([emim][BETI]) and 1-ethyl-3-methylimidazolium bis(fluoromethylsulfonyl)imide ([emim][FSI]), where the two −CF3 groups in the [Tf2N]− anion have been replaced with −C2F5 groups ([BETI]−) and -F groups ([FSI]−). We include NRTL model predictions based on parameters fit to binary data. In comparison to [emim][Tf2N], [emim][BETI] has poorer selectivity toward toluene over n-heptane and poorer distribution ratios, but [emim][FSI] has significantly improved values, primarily from reduced n-heptane capacity. In addition, we present LLE data for two previously studied ILs with exceptionally high toluene/heptane selectivities, [emim][DCA] and [emim][TCM]. Our data for [emim][DCA] agree extremely well with one of the two data sets in the literature, providing clarification on the literature inconsistency. Unfortunately, the literature value of the solubility of toluene in [emim][TCM] is significantly overestimated, which affects the ternary system tie lines at high toluene content. Nonetheless, [emim][TCM] is an excellent IL for toluene extraction from heptane, having selectivities and distribution ratios comparable to or slightly better than those of [emim][FSI].","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 4","pages":"1705–1713 1705–1713"},"PeriodicalIF":2.0,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809860","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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