INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2019
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IF 3.375
Weiping Luo,Mengqi Yan,XiaoXiao Sheng,Bao Tao,Sile Shi,Wei Deng,Weijun Yang,Siqi Luo
The solubility of adipic acid (AA), glutaric acid (GA), and succinic acid (SA) in acetic acid (HAc) + cyclohexanol solvent mixtures was measured by the laser dynamic method. The experimental temperature ranged from 300.75 to 347.05 K, and the mole fraction of HAc in the solvent mixtures ranged from 0.0000 to 1.0000. Together with the available solid–liquid equilibrium (SLE) and liquid–liquid equilibrium (LLE) data of the oxidation for cyclohexane in the published literatures, the interaction parameters of the NRTL (non-random two-liquid) model are determined by correlating a large number of experimental data. By using the new interaction parameters, the NRTL model predicted vapor–liquid equilibrium (VLE), SLE, and LLE data well in extrapolating temperature and solvent composition for the cyclohexane oxidation systems, which was in agreement with the experimentally determined results and was satisfactorily in agreement with previously published literatures. The results showed that the NRTL model would be a suitable one for the unified thermodynamics model which can be used for the correlation and prediction of the SLE, LLE, and VLE data for the cyclohexane oxidation process.
研究领域:
化学工程
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热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2016
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IF 2.74
Qian Tan,Yixin Leng,Jun Wang,Chunxiang Huang,Ye Yuan
The solubility data on solid–liquid equilibria (SLE) of racemic tartaric acid in ethanol + water mixtures were measured in the temperature range of (293.15 to 318.15) K at 0.1 MPa by acid–base titration method. In the binary solvent mixtures the solubility of racemic tartaric acid increases with rising temperature and decreases with increasing ethanol content. The modified Apelblat equation, λ h equation and CNIBS/R–K equations were applied to describe and predict the change tendency of solubility. Computational results show that the modified Apelblat equation is superior to the others. Furthermore, a predictive version of the NRTL model was proposed for the description of the non-ideality of the racemic tartaric acid–ethanol–water system. The predicted values were compared with the experimental data. The agreements are good. By using the van't Hoff equation the molar enthalpy, entropy and Gibbs free energy changes of solution were calculated. A linear ∆ sol H versus ∆ sol S compensation plot with a positive slope was obtained by means of enthalpy–entropy compensation effect.
研究领域:
化学工程
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物理化学
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热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
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IF 2.298
Yong-Sheng Xu,Xin Liu,Kang-Kang Pei,Rui-Xiong Zhao,Guo-Liang Zhang,Qing Xia,Feng-Bao Zhang
The solubilities of naphthalene in decalin, octane, dodecane, dichloromethane, trichloromethane, carbon tetrachloride, 1,2-dichloroethane, o-dichlorobenzene, 1-octanol, 2-octanone, 4-methyl-2-pentanone, and benzene were measured by a dynamic method over the temperature range of 279 to 330 K at atmospheric pressure. By comparison, the experimental results indicated that the molality solubility in dichloromethane reached maximum at certain temperature. Then, the Apelblat equation, the λh equation, the Wilson equation, and the nonrandom two liquid (NRTL) equation were used to correlate the experimental data. The NRTL equation was regarded as the effective model for all the solvents. Finally, the mixing properties were also calculated based on the NRTL equation. All these data were particularly instructive for the process of recycling naphthalene.
研究领域:
物理化学
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化工过程
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Cunzhi Zhao,Chuang Xie
The solubility of herbicide topramezone (TOP) in 16 pure solvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, methyl acetate, ethyl acetate, n-propyl acetate, isopropyl acetate, n-butyl acetate, acetone, acetonitrile, acetonitrile, tetrahydrofuran, and toluene) was measured by the gravimetric method over temperatures ranging from 283.15 to 323.15 K at 0.1 MPa. With an increase in temperature, the solubility of TOP also increased in all solvents. Isopropanol exhibited the lowest solubility at 283.15 K, whereas tetrahydrofuran showed the highest solubility at 323.15 K. The solvent effects, including polarity, hydrogen bond donor propensity, hydrogen bond acceptor propensity, and cohesive energy density, were used to analyze the solubility of TOP in various solvents. For the effect of solvent type on solubility, hydrogen bond donation is dominant in alcoholic solvents, whereas hydrogen bond acceptors are dominant in nonalcoholic solvents. The experimental solubility data were correlated with four models, namely, the modified Apelblat equation, λh equation, van’t Hoff equation, and NRTL equation, with a relative deviation of less than 5%. Furthermore, mixing thermodynamic properties of TOP in selected solvents were calculated by the NRTL model, which showed that the mixing process was spontaneous and entropy driven.
研究领域:
化学工程
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药学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2026
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IF 2.1
Jiazuo Wei,Bowen Tan,Bolun Yang,Jingjun Liu
To identify suitable extractants for extractive enhanced glycerol-CO2 carbonylation, liquid–liquid equilibrium data were determined for glycerol–glycerol carbonate systems with 2-pentanone, cyclohexanone, and 4-methyl-2-pentanone at 423.2, 433.2, and 443.2 K under a pressure of 1.5 MPa. The efficacy of the three extractants in the extraction of glycerol carbonate from glycerol was evaluated using distribution coefficients and extractive selectivity. Among the extractants, cyclohexanone possessed the highest distribution coefficient (>1) and superior extraction capability, while 4-methyl-2-pentanone exhibited the best selectivity for glycerol carbonate over glycerol. The liquid–liquid equilibrium data were then correlated using the Non-Random Two-Liquid (NRTL) model, and the corresponding binary interaction parameters were determined. The regressed parameters effectively reproduced the phase equilibrium trends observed for all studied systems. This work provides fundamental data and parameters for the selection of extractant to enhance the glycerol-CO2 carbonylation through extractive reactions as well as for subsequent process development and optimization for the carbonylation.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2020
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IF 2.888
Shihua Dong,Weizhen Sun,Yueyang Jiang,Bing Jia
Liquid-liquid equilibrium (LLE) data for {water + furfuryl alcohol + solvent (isopropyl ether, tert-butyl methyl ether, dichloromethane and methyl isobutylcarbinol)} ternary systems were determined at T = 298.2 K and p = 101.3 kPa. The distribution coefficients and separation factors were evaluated and the results showed that those solvents can effectively for furfuryl alcohol recovery from aqueous solutions. The Othmer-Tobias, Bachman and Hand equations were employed to validate the reliability of the experimental LLE data. Additionally, the experimental LLE data were correlated using the NRTL and UNIQUAC models and the binary interaction parameters were optimized. The root mean square deviations (RMSD) between the correlated data by NRTL and UNIQUAC models and the experimental LLE data were less than 0.36%, which demonstrated that both models can correlate experimental LLE data successfully.
研究领域:
化学工程
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热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2019
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IF 2.298
Jingjing Chen,Jingjing He,Ningxin Li,Huidong Zheng,Suying Zhao
The solubility of borneol, camphor, and isoborneol in four solvents (i.e., acetone, ethanol, p-cymene, and p-xylene) was measured by the static equilibrium method within the temperature range of 296.65–348.85 K under the atmosphere. The fusion points and fusion enthalpies of borneol and isoborneol were determined by differential scanning calorimetry. The Apelblat equation, Wilson model, and NRTL model were employed to correlate the measured solubility data, and the NRTL model fits the measured data better. Mixing properties of each solute–solvent pair are calculated by the NRTL model.
研究领域:
化学工程
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药学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2013
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IF 2.004
Binwei Shen,Qinbo Wang,Yufang Wang,Xiang Ye,Fuqiong Lei,Xing Gong
The solubilities of adipic acid in acetic acid + water mixtures at (303.2 to 333.2) K and acetic acid + cyclohexane mixtures at (303.2 to 343.2) K are measured. The measured solubility of adipic acid in acetic acid + cyclohexane mixtures with the mass fraction of acetic acid in the solvent mixtures at (0.1 to 1.0) decreases with increasing mass fraction of cyclohexane at constant temperature. However, for the solubility of adipic acid in acetic acid + water with the mass fraction of acetic acid in the solvent mixtures at (0 to 1.0), acetic acid with a mass fraction of 50 % has the best dissolving capacity for adipic acid at constant temperature. The experimental data was correlated by the nonrandom two-liquid (NRTL) activity coefficient model, and the values of the solubilities calculated using the model showed good agreement with the experimental observations.
研究领域:
化学工程
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物理化学
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2014
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IF 2.241
Rongrong Li,Guobo Huang,Huanan Hu,Chenghong Li,Wenping Jia
In this work, solid–liquid equilibria (SLE) data for ternary sodium 1-naphthalenesulfonate + sodium 2-naphthalenesulfonate + water system was measured at (283.15, 303.15 and 323.15) K respectively. The diagrams for solid liquid phase of the ternary system were well-established by the measured solubility data. The solid phases formed in the studied system were determined by the method of Schreinemaker’s wet residue. Moreover, the density of equilibrium liquid phase was gained in the process. At each temperature, there are two pure solids forming. They are sodium 1-naphthalenesulfonate and sodium 2-naphthalenesulfonate in the ternary system. The solubility data for the ternary system were calculated and regressed by NRTL model, giving acceptable results for the investigated systems.
研究领域:
化学热力学
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物理化学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2018
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IF 2.196
Shuyu Ning,Weifeng Chen,Teng Pan,Youwei Cheng,Lijun Wang,Xi Li
Solubilities of isophthalic acid in ternary mixtures of acetic acid + water + benzoic acid were determined by the static analytical method. The temperature range was from 292.55 to 372.10 K, the mass ratios of water to acetic acid were 0, 1:9, and 1:4, and the mass fractions of benzoic acid in initial solvent ranged from 0 to 20.1%. The experimental results indicated that the solubility of isophthalic acid increased with the introduction of benzoic acid to the binary solvents of acetic acid and water, and that could be explained by Hansen’s three-dimensional parameters and like-dissolves-like rule. Then the experimental solubilities were correlated by the nonrandom two liquids (NRTL) model, and the model parameters were regressed. The values calculated by the NRTL model showed good agreement with the experiment data.
研究领域:
化学工程
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Weibin Cai,Tiankun Liu,Hong Ye,Meng Chen,Xue Cheng
The ternary liquid–liquid equilibrium (LLE) data for cyclohexanone (CYC) + phenol + water were determined at T = (298.15, 313.15, and 323.15) K and atmospheric pressure. The distribution coefficients and separation factors were determined by the measured tie-line data, which showed the excellent performance of CYC in the extraction of phenol from aqueous solution. The reliability of LLE data was ascertained by the Bachman and Hand equations. The experimental data of the investigated ternary system were accurately correlated by the nonrandom two-liquid (NRTL) model and the universal quasi-chemical (UNIQUAC) model, and the relevant binary interaction parameters were calculated. For the NRTL and UNIQUAC models, the root-mean-square deviation values were lower than 0.6%.
研究领域:
化学工程
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2014
·
IF 2.045
Wenjie Cong,Qiuxiang Yin,Junbo Gong,Ying Bao,Meijing Zhang,Hongxun Hao,Baohong Hou,Yuhong Guo,Chuang Xie
Ternary phase diagram data of 1,2-dihydroacenaphthylene-dibenzofuran mixtures in a series of alcohols, including methanol, ethanol, propan-2-ol, propan-1-ol, butan-1-ol, and pentan-1-ol were measured using a dynamic method at 308.15 and 313.15 K. The experimental data were correlated with the Wilson model (including pseudobinary systems), UNIQUAC model, and NRTL model. The results indicate that pseudobinary systems with the Wilson equation give a better description of the solubility of the ternary system. The eutectic point shifts toward dibenzofuran when the more polar methanol and ethanol are used. This shift may help achieve a more efficient separation of 1,2-dihydroacenaphthylene and dibenzofuran.
研究领域:
化学工程
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
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