Journal of Chemical & Engineering Data最新文献_第8页

Solubility of L-Isoleucine in 12 Organic Solvents: Solvent Effects, Molecular Simulations, and Model Correlations

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-01-01 DOI: 10.1021/acs.jced.4c0045510.1021/acs.jced.4c00455

Jiaxin Wang, Yongjie Wang, Shujing Zhang, Peng Wang* and Xu Hou*,

{"title":"Solubility of L-Isoleucine in 12 Organic Solvents: Solvent Effects, Molecular Simulations, and Model Correlations","authors":"Jiaxin Wang, Yongjie Wang, Shujing Zhang, Peng Wang* and Xu Hou*, ","doi":"10.1021/acs.jced.4c0045510.1021/acs.jced.4c00455","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00455https://doi.org/10.1021/acs.jced.4c00455","url":null,"abstract":"The solubility of L-isoleucine (I form) in 12 neat solvents, including alcohols, was measured using the static gravimetric method from 283.15 to 323.15 K. The solubility order of L-isoleucine was ranked as ethyl acetate > methyl acetate > isopropanol > isobutanol > 1,4-dioxane > methanol > 2-butanone > ethanol > n-propanol > acetonitrile > n-butanol > acetone. The maximum solubility was found in methyl acetate at 323.15 K (5.451 × 10–3), and the minimum was found in acetone at 283.15 K (0.121 × 10–4). Hirshfeld surface (HS) analysis and molecular electrostatic potential surfaces (MEPs) were used to investigate the solubility of L-isoleucine in 12 monosolvents. IRI and interaction energy indicated that the solubility of L-isoleucine has a negative trend with the increase in the carbon chain length of the solvents. This research will provide basic data for the production of L-isoleucine in the pharmaceutical industry.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 2","pages":"1118–1127 1118–1127"},"PeriodicalIF":2.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143397357","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

The Phenomenon of Thermally Activated Partial Molar Isobaric Compaction of Urea as a Solute in Ethylene Diamine between 288.15 and 328.15 K at Ambient Pressure

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-30 DOI: 10.1021/acs.jced.4c0058110.1021/acs.jced.4c00581

Evgeniy V. Ivanov*, and , Elena Yu. Lebedeva,

{"title":"The Phenomenon of Thermally Activated Partial Molar Isobaric Compaction of Urea as a Solute in Ethylene Diamine between 288.15 and 328.15 K at Ambient Pressure","authors":"Evgeniy V. Ivanov*,  and , Elena Yu. Lebedeva, ","doi":"10.1021/acs.jced.4c0058110.1021/acs.jced.4c00581","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00581https://doi.org/10.1021/acs.jced.4c00581","url":null,"abstract":"The data on density of dilute solutions of urea (U) in ethylene diamine (EDA) with the molality from ∼0.018 to ∼0.39 mol·(kg solvent)−1 were experimentally obtained between (288.15 and 328.15) K and at ambient pressure. The uncertainty in density measurements did not exceed 0.03 kg m–3. The standard (partial at infinite dilution) molar volumes, V2○, and expansibilities, Ep,2○, of U as a solute in EDA were computed. The unusual phenomenon of the thermally activated partial molar isobaric compaction of the solute (PMICS) caused by the presence of a negative sign at Ep,2○ was discovered. The origin of this atypical volumetric effect in both the system under consideration and some other urea-containing amphiprotic media was discussed based on the thermodynamic approach including the Ben-Naim’s concept of the “relative affinity parameter”.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"305–314 305–314"},"PeriodicalIF":2.0,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086951","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 Studies of Theophylline-PEGylated Deep Eutectic Solvents in Aqueous Solution

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-29 DOI: 10.1021/acs.jced.4c0055410.1021/acs.jced.4c00554

Vickramjeet Singh*, Arpita Padhan, Anshuman Pattanvall and Shikha Indoria*,

{"title":"Volumetric Studies of Theophylline-PEGylated Deep Eutectic Solvents in Aqueous Solution","authors":"Vickramjeet Singh*, Arpita Padhan, Anshuman Pattanvall and Shikha Indoria*, ","doi":"10.1021/acs.jced.4c0055410.1021/acs.jced.4c00554","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00554https://doi.org/10.1021/acs.jced.4c00554","url":null,"abstract":"Deep eutectic solvents (DESs) have garnered significant attention as eco-friendly alternatives to conventional solvents. Understanding the solution chemistry of DES is crucial for green chemistry processes in pharmaceutical formulations. This study presents a comprehensive volumetric investigation to elucidate the molecular interactions and thermodynamic properties of theophylline in aqueous DES environments. A DES composed of PEG-400 and citric acid/ascorbic acid was tailored to study the theophylline–DES interactions. Measurements of density and speed of sound were conducted within the range of 293.15–318.15 K and 0.1 MPa. Analysis of apparent molar volumes, infinite dilution partial molar volumes, and volumetric transfer parameters provided the plausible theophylline–DES–water interactions. The findings indicate a complex interplay of interactions among DES components and theophylline, with notable observations on the dimerization of theophylline leading to a reduction in the transfer volume. This study sheds light on DES-mediated drug–water interactions, which offer valuable implications for pharmaceutical applications.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"296–304 296–304"},"PeriodicalIF":2.0,"publicationDate":"2024-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143087119","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 Equilibria for (Water + Propionic Acid or Butyric Acid + 2-Octanol) at 298.2, 308.2, and 318.2 K

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-28 DOI: 10.1021/acs.jced.4c0052710.1021/acs.jced.4c00527

Maryam NasouriGazani, Ali Ghanadzadeh Gilani* and Sina Shekarsaraee,

{"title":"Liquid–Liquid Equilibria for (Water + Propionic Acid or Butyric Acid + 2-Octanol) at 298.2, 308.2, and 318.2 K","authors":"Maryam NasouriGazani, Ali Ghanadzadeh Gilani* and Sina Shekarsaraee, ","doi":"10.1021/acs.jced.4c0052710.1021/acs.jced.4c00527","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00527https://doi.org/10.1021/acs.jced.4c00527","url":null,"abstract":"Solubility and tie-line compositions were determined for the aqueous mixtures of propionic and butyric acids with 2-octanol at T = (298.2, 308.2, and 318.2) K and 101 kPa. The ternary mixtures display type-1 liquid–liquid phase diagrams. To correlate the experimental tie-line data, the thermodynamic models of NRTL and UNIQUAC were used. The calculated binary interaction parameters in the NRTL model were reliable with the experimental liquid–liquid equilibrium (LLE) data through the model of Marcilla et al. The capacity of 2-octanol as a solvent was evaluated through the determination of solute distribution coefficient and selectivity. The effect of temperature on the biphasic area was found to be small. The selected solvent has a reasonably high extraction capacity and may serve as a suitable separating agent for aqueous propionic or butyric acid mixtures. However, butyric acid is more hydrophobic in nature, exhibits larger solute distribution coefficients and selectivities than propionic acid, and may be better extracted by the solvent.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"500–511 500–511"},"PeriodicalIF":2.0,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086929","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 Phase Equilibria in the Ternary System NaCl–Na2SeO3–H2O and Na2SO4–Na2SeO3–H2O at 298.15, 323.15 K

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-27 DOI: 10.1021/acs.jced.4c0061610.1021/acs.jced.4c00616

Qingyuan Wu, Wenyan Zheng, Yonghe Zhang, Meiyan Zhang, Xueli Huang and Xueying Wang*,

{"title":"Solid Liquid Phase Equilibria in the Ternary System NaCl–Na2SeO3–H2O and Na2SO4–Na2SeO3–H2O at 298.15, 323.15 K","authors":"Qingyuan Wu, Wenyan Zheng, Yonghe Zhang, Meiyan Zhang, Xueli Huang and Xueying Wang*, ","doi":"10.1021/acs.jced.4c0061610.1021/acs.jced.4c00616","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00616https://doi.org/10.1021/acs.jced.4c00616","url":null,"abstract":"At temperatures of 298 and 323 K, the solubility data for both solid and liquid phases across various systems was measured utilizing the isothermal dissolution equilibrium method at equilibrium. This investigation encompasses the binary system Na2SeO3–H2O as well as the ternary systems NaCl–Na2SeO3–H2O and Na2SO4–Na2SeO3–H2O. The research findings indicate that at both 298 and 323 K, the ternary system NaCl–Na2SeO3–H2O exhibits one invariant point, two univariant curves, and three crystallization regions. These correspond to NaCl, Na2SeO3, and a combination of them, respectively. In the context of the ternary system Na2SO4–Na2SeO3–H2O, there are significant differences in the equilibrium phase diagram at two different temperatures. At 298 K, the phase diagram comprises two invariant points, three univariant curves, and five crystallization regions, which correspond to Na2SO4·10H2O, Na2SO4, Na2SeO3, Na2SO4·10H2O and Na2SO4, Na2SO4 and Na2SeO3. At 323 K, the most notable distinction is the decrease in the number of invariant points from two to one, while the number of univariant curves is exactly two; the number of crystalline regions is reduced from five to three, consisting only of Na2SO4, Na2SeO3, Na2SO4 and Na2SeO3.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"639–646 639–646"},"PeriodicalIF":2.0,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086640","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

Phase Equilibrium Study of Ethane + Perfluorohexane System across Temperatures from 292.89 to 317.92 K and Pressures from 0.513 to 4.913 MPa

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-24 DOI: 10.1021/acs.jced.4c0065910.1021/acs.jced.4c00659

Marc Mulamba Tshibangu*, Christophe Coquelet, Caleb Narasigadu and Deresh Ramjugernath,

{"title":"Phase Equilibrium Study of Ethane + Perfluorohexane System across Temperatures from 292.89 to 317.92 K and Pressures from 0.513 to 4.913 MPa","authors":"Marc Mulamba Tshibangu*, Christophe Coquelet, Caleb Narasigadu and Deresh Ramjugernath, ","doi":"10.1021/acs.jced.4c0065910.1021/acs.jced.4c00659","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00659https://doi.org/10.1021/acs.jced.4c00659","url":null,"abstract":"This study provides comprehensive experimental vapor–liquid equilibrium data for a system composed of perfluorohexane and ethane at four temperatures (292.89 to 317.92) K and pressures spanning from 0.513 to 4.913 MPa. The experimental investigation was achieved using a “static–analytic” equipment fitted with a capillary sampler for the equilibrium phases. The expanded uncertainties in the measurement of temperatures, pressures, and mole fractions were determined to be within 0.04 K, 0.003 MPa, and less than 0.03, respectively. The phase equilibrium data were successfully modeled via the phi–phi approach using two sets of thermodynamic models, i.e., the Peng–Robinson equation of state with the Wong–Sandler mixing rule or the Soave–Redlich–Kwong equation of state with the predictive Soave–Redlich–Kwong mixing rule. The parameters of both models were adjusted using the ordinary least-squares objective function. The PR-MC-WS-NRTL model slightly outperforms the SRK-MC-PSRK-NRTL model in representing experimental data, with both models showing minor differences and bias P, bias y, and AAD y values within 1%, while AAD P values exceed 1% but remain nearly identical for both. A comparison of the VLE data for the C2H6 + C6F14 and the CO2 + C6F14 systems reveals that C6F14 exhibits strong selectivity for C2H6 over that of CO2 at high pressures.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"439–445 439–445"},"PeriodicalIF":2.0,"publicationDate":"2024-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086658","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

Unraveling Solid–Liquid Phase Equilibrium Behavior of Prednisolone Form I in 13 Pure Solvents through Synergistic Experimental and Simulation Approaches

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-20 DOI: 10.1021/acs.jced.4c0050310.1021/acs.jced.4c00503

Xiaofang Luo, Yuntian Xiao, Linlin Shi, Lingli Hou, Yongkang Liu, Ling Zhou* and Qiuxiang Yin*,

{"title":"Unraveling Solid–Liquid Phase Equilibrium Behavior of Prednisolone Form I in 13 Pure Solvents through Synergistic Experimental and Simulation Approaches","authors":"Xiaofang Luo, Yuntian Xiao, Linlin Shi, Lingli Hou, Yongkang Liu, Ling Zhou* and Qiuxiang Yin*, ","doi":"10.1021/acs.jced.4c0050310.1021/acs.jced.4c00503","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00503https://doi.org/10.1021/acs.jced.4c00503","url":null,"abstract":"Prednisolone (PDL), a corticosteroid extensively used in the treatment of allergic and autoimmune inflammatory diseases, faces limitations in clinical application due to its poor water solubility. Consequently, grasping the solid–liquid equilibrium behavior across diverse solvents is imperative for advancing the development of solid formulations with improved bioavailability. This study measured the solubility of PDL Form I in 13 pure solvents using gravimetric analysis and employed molecular dynamics, including molecular electrostatic potential surface analysis, Hirshfeld surface analysis, the independent gradient model based on Hirshfeld partitioning, radial distribution function, and solute–solvent interaction energy calculations, to explore the solid–liquid equilibrium behavior. The solubility of PDL Form I across various solvents exhibited a temperature-dependent increase, showing the largest variation in acetone. Radial distribution function analysis indicated multiple hydrogen-bonding interactions between the PDL molecule and the solvents tested. The calculations of solute–solvent interaction energy revealed that ethanol had the highest interaction energy with PDL, correlating with its the highest solubility. The validity of the solid–liquid equilibrium data was confirmed by fitting to the Apelblat equation, λh model, van’t Hoff equation, and NRTL equation, with an average relative deviation below 2.5, indicating good correlation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"570–587 570–587"},"PeriodicalIF":2.0,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143085808","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 Equilibria of Ternary Systems Containing Butyl Acetate, Pentyl Acetate, or Hexyl Acetate + 2-Hydroxyethylammonium Butanoate + Ethanol at 298.15 K

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-20 DOI: 10.1021/acs.jced.4c0045210.1021/acs.jced.4c00452

Renata C. O. Souza, Rafaela R. Pinto, Carlos E. S. Dantas, Ericsem Pereira, Roberta Ceriani*, Silvana Mattedi and Geormenny R. Santos,

{"title":"Liquid–Liquid Equilibria of Ternary Systems Containing Butyl Acetate, Pentyl Acetate, or Hexyl Acetate + 2-Hydroxyethylammonium Butanoate + Ethanol at 298.15 K","authors":"Renata C. O. Souza, Rafaela R. Pinto, Carlos E. S. Dantas, Ericsem Pereira, Roberta Ceriani*, Silvana Mattedi and Geormenny R. Santos, ","doi":"10.1021/acs.jced.4c0045210.1021/acs.jced.4c00452","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00452https://doi.org/10.1021/acs.jced.4c00452","url":null,"abstract":"This work studied the liquid–liquid equilibria (LLE) of three ternary systems containing acetates (butyl, pentyl, or hexyl acetate) plus ethanol plus the ionic liquid (IL) 2-hydroxyethylammonium butanoate (2-HEAB) at T = 298.15 K and p = 94.5 kPa. The IL was synthesized using a neutralization reaction. The Fourier-transform infrared spectroscopy (FT-IR) and the nuclear magnetic resonance (NMR) analyses were used to characterize the IL structure. For each ternary system, the equilibrium compositions were determined by a gravimetric method with empirical correlations based on the solubility curve, which was obtained by the cloud point method. The experimental results revealed that the acetate alkyl chain length decreases the system’s partial miscibility area. They also showed that ethanol is distributed preferably in the extract phase (IL-rich) with a partition coefficient (mole basis) of at least 2.5, which is an indicative that 2-HEAB can be used as a solvent for extracting ethanol from acetates, with reasonable values of selectivity (much higher than 1). The binary interaction parameters of the Non-Random Two-Liquid (NRTL) model were adjusted within the LLE experimental data and resulted in root-mean-square deviations up to 1.02%.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"477–487 477–487"},"PeriodicalIF":2.0,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jced.4c00452","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143085827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solubility Determination and Data Correlation of Paliperidone in Different Pure Solvents at 288.15 to 328.15 K

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-19 DOI: 10.1021/acs.jced.4c0056410.1021/acs.jced.4c00564

Shouxiang Jiang, Guangbing Zheng, Xiangyu Sun, Junwei Wang, Haibo Mu, Wenjun Xie, Chengfei Wang, Haoran Li, Xia Jiang, Gengxiu Zheng* and Guan Wang*,

{"title":"Solubility Determination and Data Correlation of Paliperidone in Different Pure Solvents at 288.15 to 328.15 K","authors":"Shouxiang Jiang, Guangbing Zheng, Xiangyu Sun, Junwei Wang, Haibo Mu, Wenjun Xie, Chengfei Wang, Haoran Li, Xia Jiang, Gengxiu Zheng* and Guan Wang*, ","doi":"10.1021/acs.jced.4c0056410.1021/acs.jced.4c00564","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00564https://doi.org/10.1021/acs.jced.4c00564","url":null,"abstract":"The solubility of paliperidone in 15 pure solvents (methanol, ethanol, i-propanol, n-propanol, n-butanol, n-pentanol, n-hexanol, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, acetone, acetonitrile, tetrahydrofuran, and 1,4-dioxane) was determined using a dynamic laser monitoring method at 0.1 MPa and temperatures ranging from 288.15 to 328.15 K. With increasing temperature, the molar fraction solubility of paliperidone in each solvent also increased. Acetonitrile exhibited the lowest solubility at 288.15 K, whereas 1,4-dioxane showed the highest at 328.15 K. Various models, including the modified Apelblat, Yaws, λh, Wilson, and NRTL models, were applied to correlate and analyze the experimental data. The relative average deviation and root-mean-square deviation indicated strong correlation between experimental and modeled solubility data. Additionally, based on the Wilson model, the thermodynamic analysis of paliperidone dissolution suggested an entropy-driven and spontaneous process, with entropy exerting a greater influence on Gibbs free energy than enthalpy.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"627–638 627–638"},"PeriodicalIF":2.0,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143085428","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

Thermophysical, Spectral, and Theoretical Studies of Binary Systems Comprising 1-Hexyl-3-methylimidazolium Bromide and 2-Alkoxyethanols

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2024-12-19 DOI: 10.1021/acs.jced.4c0036010.1021/acs.jced.4c00360

Pooja Devi, Pooja Rani and Jyoti Kataria*,

{"title":"Thermophysical, Spectral, and Theoretical Studies of Binary Systems Comprising 1-Hexyl-3-methylimidazolium Bromide and 2-Alkoxyethanols","authors":"Pooja Devi, Pooja Rani and Jyoti Kataria*, ","doi":"10.1021/acs.jced.4c0036010.1021/acs.jced.4c00360","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00360https://doi.org/10.1021/acs.jced.4c00360","url":null,"abstract":"The study of binary solutions is indispensable for many industrial purposes, particularly for developing new products, testing molecular theories, and designing processing techniques with suitable operating conditions. In this work, thermodynamic properties such as the density, viscosity, and refractive index of binary mixtures of 1-hexyl-3-methylimidazolium bromide with 2-methoxyethanol, 2-ethoxyethanol, 2-propoxyethanol, and 2-butoxyethanol have been studied as a function of mole fraction at temperatures from 298.15 to 313.15 K at intervals of 5 K and pressure = 0.1 MPa. The excess molar volume, deviation in viscosity, excess Gibbs free energy of activation for viscous flow, deviation in refractive index, and excess molar refraction have been derived from the measured properties and fitted to the four-parameter Redlich–Kister equation. Additionally, excess molar volumes have been correlated using Graph and Prigogine–Flory–Patterson theories. Further, different viscosity relations having zero to three interaction parameters have been employed to correlate the viscosity-composition data, and their corresponding average standard deviation percentages have been computed to assess the efficiency of these correlations. The observed sign of excess properties predicts strong interactions between [HMIM]Br and 2-alkoxyethanol molecules. Moreover, Fourier-transform infrared and Raman spectra of selected systems have been examined to strengthen our experimental outcomes.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 1","pages":"177–195 177–195"},"PeriodicalIF":2.0,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143084895","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