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

Thermodynamic and Physicochemical Properties of {Tricyanomethanide-Based IL + Ethanol} Solutions: Experimental Data and Correlations

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-20 DOI: 10.1021/acs.jced.4c0069410.1021/acs.jced.4c00694

Marta Królikowska*, Michał Skonieczny, Kamil Paduszyński and Maciej Zawadzki,

{"title":"Thermodynamic and Physicochemical Properties of {Tricyanomethanide-Based IL + Ethanol} Solutions: Experimental Data and Correlations","authors":"Marta Królikowska*, Michał Skonieczny, Kamil Paduszyński and Maciej Zawadzki, ","doi":"10.1021/acs.jced.4c0069410.1021/acs.jced.4c00694","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00694https://doi.org/10.1021/acs.jced.4c00694","url":null,"abstract":"Absorption refrigeration systems (ARS) commonly use the {lithium bromide + water} pair as a working fluid. However, this combination poses challenges, such as corrosion, crystallization, and environmental concerns due to lithium mining. Lithium’s growing demand, especially for batteries, has also led to high and sustained prices, making it imperative to find alternatives. This study explores ethanol as a circulating medium combined with ionic liquids (ILs): 1-ethyl-3-methylimidazolium tricyanomethanide ([C1C2IM][TCM]), 1-ethyl-1-methylpyrrolidinium tricyanomethanide ([C1C2PYR][TCM]), and 4-ethyl-4-methylmorpholinium tricyanomethanide ([C1C2MOR][TCM]). These ILs were thermodynamically and physicochemically characterized over a wide range of temperatures and compositions. Isothermal vapor–liquid equilibrium (VLE) was measured at pressures up to 90 kPa and temperatures between 328.15 and 348.15 K, with the Redlich–Kwong equation used for data correlation. Theoretical cycles were constructed by using experimental VLE data and literature values, and the performance (COP) of these IL-based fluids was compared with the {LiBr + water} system. The density and viscosity of binary solutions were measured across T = 293–338.15 K and correlated with empirical models. The study also details the synthesis, NMR analysis, and DSC characterization of [C1C2PYR][TCM] and [C1C2MOR][TCM], highlighting the influence of the IL structure on system performance. This research provides valuable insights into developing environmentally sustainable and efficient ARS alternatives.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1363–1377 1363–1377"},"PeriodicalIF":2.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.jced.4c00694","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600308","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

Thermodynamic Properties of H2O–Na3PO4 and H2O–Na3PO4–K3PO4 Systems: Experimental Study and Modeling

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-20 DOI: 10.1021/acs.jced.4c0053810.1021/acs.jced.4c00538

Artem A. Novikov*, Yongxu Luo, Svetlana V. Kurdakova, Nikita Kovalenko and Irina A. Uspenskaya,

{"title":"Thermodynamic Properties of H2O–Na3PO4 and H2O–Na3PO4–K3PO4 Systems: Experimental Study and Modeling","authors":"Artem A. Novikov*, Yongxu Luo, Svetlana V. Kurdakova, Nikita Kovalenko and Irina A. Uspenskaya, ","doi":"10.1021/acs.jced.4c0053810.1021/acs.jced.4c00538","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00538https://doi.org/10.1021/acs.jced.4c00538","url":null,"abstract":"The thermodynamic properties of aqueous solutions in the H2O–Na3PO4–K3PO4 system were investigated, expanding on prior research on the H2O–K3PO4 system. The study encompassed both the ternary system and its subsystem, H2O–Na3PO4, across a wide temperature range. Experimental data on vapor–liquid equilibria in the ternary system were obtained for the first time. Water activity was determined using dew point and static vapor pressure methods. Measurements were taken at 298.15 and 323.15 K and sodium phosphate concentrations range w(Na3PO4) = 0.078–0.194 in the H2O–Na3PO4 system and within the range of 288.15–323.15 K in the H2O–Na3PO4–K3PO4 system. Solubilities were determined in the H2O–Na3PO4–K3PO4 system at 298.15 K. Thermodynamic models for the H2O–Na3PO4–K3PO4 system and its subsystems were developed. Modeling of the H2O–Na3PO4–NaOH subsystem at low NaOH concentrations was conducted to account for the influence of Na+–PO43––OH– interactions. The combination of experimental methods and modeling has revealed the presence of two solid solutions in the system. The first is an interstitial solid solution based on sodium phosphate dodecahydrate, and the second is a substitutional solid solution based on the lattice of potassium phosphate heptahydrate.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1215–1230 1215–1230"},"PeriodicalIF":2.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600337","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

Determination and Correlation of Solubility of Chlorothalonil in 10 Pure Solvents and One Binary Solvent at 288.15–323.15 K

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-20 DOI: 10.1021/acs.jced.4c0071810.1021/acs.jced.4c00718

Cheng Tan, Genghao Zhu, Zhiying Pan, Maoying Tian, Xiangjie Li, Shichao Du*, Tingting Gao* and Fumin Xue*,

{"title":"Determination and Correlation of Solubility of Chlorothalonil in 10 Pure Solvents and One Binary Solvent at 288.15–323.15 K","authors":"Cheng Tan, Genghao Zhu, Zhiying Pan, Maoying Tian, Xiangjie Li, Shichao Du*, Tingting Gao* and Fumin Xue*, ","doi":"10.1021/acs.jced.4c0071810.1021/acs.jced.4c00718","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00718https://doi.org/10.1021/acs.jced.4c00718","url":null,"abstract":"Chlorothalonil is a kind of high efficiency, low toxicity, and broad-spectrum fungicide pesticide, which is widely used in the prevention and control of plant fungal diseases. In this work, the solubility of chlorothalonil in 10 pure solvents and one binary solvent was determined by the gravimetric method at temperatures from 288.15 to 323.15 K. Ten experimental pure solvents were 1,4-dioxane, N,N-dimethylacetamide, acetone, cyclohexanone, acetonitrile, N,N-dimethylformamide, methyl isobutyl ketone, ethyl acetate, n-propyl acetate, and tetrahydrofuran. The selected binary solvent mixtures were N,N-dimethylacetamide and ethyl acetate in different proportions. The obtained data show that the solubility of chlorothalonil in the above solvents increases with the increase in temperature, and the solubility also increases with the increase in the N,N-dimethylacetamide ratio in the binary solvent. Furthermore, the experimental solubility data is well correlated by using the modified Apelblat model, Van’t Hoff model, modified Jouyban–Acree model, and Yaws model. The modified Apelblat model shows the best correlation with the solubility of chlorothalonil. In addition, the KAT-LSER model is used to investigate the influence of the solvent effect on the solubility, indicating that the solubility of chlorothalonil is negatively correlated with the polarity of the solvent.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1520–1526 1520–1526"},"PeriodicalIF":2.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600307","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

Densities and Viscosities of Aqueous Solutions of Tributylmethylphosphonium Dimethylphosphate

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-19 DOI: 10.1021/acs.jced.4c0056510.1021/acs.jced.4c00565

Mitsuhiro Kanakubo*, Takuji Yama, Daisuke Kodama*, Umair Yaqub Qazi, Takashi Makino, Kiyotaka Goshome, Tetsuhiko Maeda, Yohei Mizuguchi and Tsutomu Watanabe,

{"title":"Densities and Viscosities of Aqueous Solutions of Tributylmethylphosphonium Dimethylphosphate","authors":"Mitsuhiro Kanakubo*, Takuji Yama, Daisuke Kodama*, Umair Yaqub Qazi, Takashi Makino, Kiyotaka Goshome, Tetsuhiko Maeda, Yohei Mizuguchi and Tsutomu Watanabe, ","doi":"10.1021/acs.jced.4c0056510.1021/acs.jced.4c00565","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00565https://doi.org/10.1021/acs.jced.4c00565","url":null,"abstract":"Densities and viscosities of aqueous solutions of tributylmethylphosphonium dimethylphosphate, [P4441][(CH3O)2PO2], were measured over an entire range of compositions at atmospheric pressure at temperatures between 278.15 and 363.15 K. The isobaric thermal expansivities and partial molar volumes were derived at different compositions and temperatures. The density and expansivity showed maxima in the dilute aqueous solutions at the mole fraction of [P4441][(CH3O)2PO2], x2 ≈ 0.1. The experimental viscosities were well reproduced by the Vogel–Fulcher–Tammann (VFT) equation, with parameters that also indicate the minima (B and D) and maxima (ln A and T0) in the dilute aqueous solutions at x2 < 0.05. The volumetric and viscosity behaviors have been analyzed in terms of dilute electrolyte solution theory, suggesting that [P4441][(CH3O)2PO2] can behave as a so-called structure-making salt. The excess molar volumes and deviation viscosities were all negative over an entire range of compositions with the minima at x2 ≈ 0.3 and 0.6, respectively, and increased with increasing temperature. The excess molar volumes and deviation viscosities for the aqueous solutions of [P4441][(CH3O)2PO2] were quantitatively compared to those for the aqueous solutions of ionic liquids composed of similar cations and/or anions.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1195–1207 1195–1207"},"PeriodicalIF":2.0,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600305","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 Viscosity B-Coefficients and the Excess Gibbs Energy of Activation for Viscous Flow of the Dilute Solutions of [EtOheim][SCN] in Molecular Solvents

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-19 DOI: 10.1021/acs.jced.4c0065410.1021/acs.jced.4c00654

Jingyuan He, Shuo Gao, Chuan Tao, Zongren Song*, Dawei Fang* and Jie Wei*,

引用次数: 0

Modification of the High-Pressure Cell in the Hildebrand’s Device to Determine the Thermal Pressure Coefficients of Liquids: Search for Correlations between Thermal Pressure Coefficients and Various Physicochemical Parameters

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-18 DOI: 10.1021/acs.jced.4c0058410.1021/acs.jced.4c00584

Dmitry A. Kornilov*, Alexander S. Novikov, Ruslan N. Nagrimanov and Akhat G. Mustafin,

{"title":"Modification of the High-Pressure Cell in the Hildebrand’s Device to Determine the Thermal Pressure Coefficients of Liquids: Search for Correlations between Thermal Pressure Coefficients and Various Physicochemical Parameters","authors":"Dmitry A. Kornilov*, Alexander S. Novikov, Ruslan N. Nagrimanov and Akhat G. Mustafin, ","doi":"10.1021/acs.jced.4c0058410.1021/acs.jced.4c00584","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00584https://doi.org/10.1021/acs.jced.4c00584","url":null,"abstract":"In this work, we have modified the high-pressure cell in the Hildebrand’s device for the determination of the thermal pressure coefficients of liquids. Instead of a glass cell of constant volume, we propose to use a metal cell. As a container of constant volume, a custom cell of corrosion-resistant steel with a pressure range of up to 60 MPa was used. Such significant maximum pressure also enables the temperature range to be increased for the reliable determination of the thermal pressure coefficients. Using the metal cell in the Hildebrand’s device, the thermal pressure coefficients of 14 organic liquids have been determined. The deviations between the obtained results and the literature data were within the measurement errors. We have found that the thermal pressure coefficient of simple organic liquids correlates with their packing coefficients.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1208–1214 1208–1214"},"PeriodicalIF":2.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600197","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 Thermodynamic Analysis of 3(5)-Nitropyrazole in Different High Boiling Solvents

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-18 DOI: 10.1021/acs.jced.4c0044610.1021/acs.jced.4c00446

Mingya Wang, Hongxia Pan, Yongzheng Liu, Jun Chen, Duanlin Cao* and Linxiu Zhao*,

{"title":"Solubility and Thermodynamic Analysis of 3(5)-Nitropyrazole in Different High Boiling Solvents","authors":"Mingya Wang, Hongxia Pan, Yongzheng Liu, Jun Chen, Duanlin Cao* and Linxiu Zhao*, ","doi":"10.1021/acs.jced.4c0044610.1021/acs.jced.4c00446","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00446https://doi.org/10.1021/acs.jced.4c00446","url":null,"abstract":"3(5)-Nitropyrazole is obtained by rearrangement of 1-nitropyrazole in high boiling organic solvents. In this paper, the solubility of 3(5)-nitropyrazole in 12 high boiling solvents (anisole, benzonitrile, mesitylene, o-dichlorobenzene, 1-octanol, benzyl alcohol, 2-ethylhexyl acetate, dimethyl glutarate, cyclohexanone, N,N-dimethylformamide, N-methylformamide, and isophorone) was determined using the static gravimetric method over the temperature range of 283.15–323.15 K. The experimental results revealed that the solubility of 3(5)-nitropyrazole exhibited a positive correlation with temperature. Under ambient conditions at 298.15 K, the solubility decreased in the following order: N,N-dimethylformamide (37.705 × 10–2), N-methylformamide (20.131 × 10–2), cyclohexanone (13.469 × 10–2), isophorone (11.957 × 10–2), dimethyl glutarate (6.667 × 10–2), benzyl alcohol (3.909 × 10–2), benzonitrile (2.915 × 10–2), 1-octanol (1.916 × 10–2), 2-ethylhexyl acetate (1.220 × 10–2), o-dichlorobenzene (0.666 × 10–2), anisole (0.688 × 10–2), and mesitylene (0.246 × 10–2). The solubility of 3(5)-nitropyrazole was fitted using the Apelblat equation, λh equation, NRTL model, and van’t Hoff model. The fitting results were evaluated using average relative deviation and RMSD. The NRTL model exhibited the best overall performance. The use of Hansen solubility parameters for solubility prediction and analysis has certain limitations.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1416–1425 1416–1425"},"PeriodicalIF":2.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600198","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

Vapor Pressure Osmometry and Thermodynamic Modeling of Aqueous Protic Ionic Liquids Based on 2-Hydroxyethylammonium Lactate

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-14 DOI: 10.1021/acs.jced.4c0061710.1021/acs.jced.4c00617

Saeid Faraji, Masumeh Mokhtarpour and Hemayat Shekaari*,

引用次数: 0

Liquid-Liquid Equilibria of the (Hexane + Alcohol + Deep Eutectic Solvents) Systems: Measurement and Correlation

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-14 DOI: 10.1021/acs.jced.4c0055010.1021/acs.jced.4c00550

Ali Ghanadzadeh Gilani*, Shima Rahmdel, Neda Gilani, Alireza Pourvahabi, Abdelmalek Hasseine and Francis Verpoort,

{"title":"Liquid-Liquid Equilibria of the (Hexane + Alcohol + Deep Eutectic Solvents) Systems: Measurement and Correlation","authors":"Ali Ghanadzadeh Gilani*, Shima Rahmdel, Neda Gilani, Alireza Pourvahabi, Abdelmalek Hasseine and Francis Verpoort, ","doi":"10.1021/acs.jced.4c0055010.1021/acs.jced.4c00550","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00550https://doi.org/10.1021/acs.jced.4c00550","url":null,"abstract":"A study on the type 1 liquid–liquid equilibrium (LLE) behavior of the {n-hexane +1-butanol or 3-methyl-1-butanol (isopentanol) + deep eutectic solvents (DESs)} systems was performed at 298.2 K and 101 kPa. This investigation evaluates the efficiency of DESs as extractants in the green separation of hexane-alcohol azeotropic/nonazeotropic mixtures via liquid–liquid extraction. Three choline-chloride-based DESs were prepared: choline chloride +1,2-propanediol (DES1; 1:3 mol ratio), choline chloride +1,2-ethanediol (DES2; 1:2 mol ratio), and choline chloride + glycerol (DES3; 1:2 mol ratio). These DESs were used to remove 1-butanol and isopentanol from n-hexane in LLE experiments. The equilibrium phase diagram and extraction capacity were compared with those of the (n-heptane + isopentanol + DES1 or DES2) system. The NRTL model successfully correlated the measured tie-lines, and the calculated binary interaction parameters were validated through topological analysis. The extraction capacity of the DESs was evaluated through distribution coefficients and selectivities, confirming their potential as effective and environmentally friendly extractants for separating hexane-alcohol mixtures.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1392–1405 1392–1405"},"PeriodicalIF":2.0,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600194","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 Nonideal Mixing Behavior in Linalool and 1-Alkanol Mixtures: Thermodynamics and Viscosity Modeling Approaches

IF 2 3区工程技术

Journal of Chemical & Engineering Data Pub Date : 2025-02-13 DOI: 10.1021/acs.jced.4c0061810.1021/acs.jced.4c00618

Mohammad Almasi*,

{"title":"Investigation of Nonideal Mixing Behavior in Linalool and 1-Alkanol Mixtures: Thermodynamics and Viscosity Modeling Approaches","authors":"Mohammad Almasi*, ","doi":"10.1021/acs.jced.4c0061810.1021/acs.jced.4c00618","DOIUrl":"https://doi.org/10.1021/acs.jced.4c00618https://doi.org/10.1021/acs.jced.4c00618","url":null,"abstract":"The liquid densities and viscosities of linalool (LL) combined with 1-alkanols (1-butanol to 1-heptanol) were studied across a temperature range of 293.15–323.15 K. The experimental results revealed a negative deviation from ideal behavior in both viscosity deviation and excess molar volume for all of the fluids examined. These deviations in excess volume indicate that the intermolecular interactions between LL and 2-alkanols are significant, primarily driven by hydrogen bonding between unlike molecules. Furthermore, the observed behavior highlights the role of molecular structure and steric hindrance of the alcohol chain in influencing the thermodynamic properties of the mixtures. The friction theory was employed to estimate the viscosity of pure chemicals and binary fluids. For pure alkanols and linalool, the viscosity calculations demonstrated a maximum error of 1.43% for linalool. In the case of binary systems, the correlated values were in good agreement with experimental results, with the largest deviation observed for the linalool + 1-heptanol mixture, reaching 2.26%. This close alignment highlights the reliability of the f-theory in modeling viscosity for both pure and mixed systems, particularly for compounds with hydrogen bonding interactions.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 3","pages":"1231–1238 1231–1238"},"PeriodicalIF":2.0,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600175","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