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 THERMODYNAMICS
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2020
·
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
·
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
·
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
·
2014
·
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
·
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
FLUID PHASE EQUILIBRIA
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2015
·
IF 2.2
Yinchuan Pei,Qinbo Wang,Xing Gong,Fuqiong Lei,Binwei Shen
Liquid–liquid equilibrium (LLE) data for ternary systems water + cyclohexane + cyclohexanol and water + cyclohexane + cyclohexanone were measured at (303.2–333.2) K and under atmospheric pressure. The reliability of the experimental tie-line data was checked by the empirical Othmer–Tobias correlation. The distribution coefficient and separation factor were used to investigate the distribution of cyclohexanol and cyclohexanone between water and cyclohexane. The results show that the distribution coefficient of cyclohexanol or cyclohexanone between organic and aqueous phases increases with the increasing content of cyclohexanol or cyclohexanone in water, and so does it with the increasing of temperature. By using the NRTL and UNIQUAC activity coefficient models, the experimentally determined LLE data, along with the LLE data for another ternary system water + cyclohexanol + cyclohexanone [G. Xing, W. Qinbo, L. Fuqiong, S. Binwei, J. Chem. Eng. Data 59 (2013) 1651–1655], were correlated simultaneously. Good agreements were obtained between the correlated and experimentally determined tie-line data. The binary NRTL and UNIQUAC interaction parameters were obtained. Furthermore, four sets of quaternary LLE data for water + cyclohexane + cyclohexanol + cyclohexanone were experimentally determined at 318.2 K. The experimentally determined quaternary LLE data were compared with the NRTL model predicted LLE data, and generally agreements were obtained. It further verifies the reliability of the obtained binary model parameters, and indicates the obtained parameters could be used for prediction, as well as design and optimization of the related separation process.
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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2019
·
IF 2.298
Xiaoda Wang,Yuan Gao,Chaoqun Li,Zhixian Huang,Ting Qiu
Liquid–liquid equilibrium data were determined for the two ternary systems of water + thioglycolic acid (TGA) + 2-ethyl-1-hexyl thioglycolate (ETE) and water + 2-ethyl-1-hexyl thioglycolate (ETE) + 2-ethyl-1-hexanol (EHL) at 293.15, 303.15, and 313.15 K under 101 kPa. The nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models were used to correlate the experimental LLE data. The LLE data calculated by the NRTL and UNIQUAC models were in good agreement with the experimental ones.
研究领域:
化学工程
·
物理化学
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2023
·
IF 2.6
Qing Zhang,Danru Xu,Miaoli Hao,Zhiqiang Wu,Chunhai Yi,Jingjun Liu
Solketal obtained by ketalization of glycerol with acetone is a value-added glycerol derivative that can be used as a solvent, plasticizer and fuel additive. Phase splitting and merging exist in the ketalization due to the low solubilities of the two reactants. The liquid-liquid equilibrium data for a quaternary system (glycerol – acetone – solketal – water) involved in the ketalization were measured at reaction-relevant temperatures (303.2 K, 308.2 K, and 313.2 K) and atmospheric pressure. The equilibrium data were correlated using the NRTL model to calculate activity coefficients, to estimate the binary interaction parameters. The NRTL model with the regressed parameters could reproduce the phase equilibrium behavior of the studied system.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2015
·
IF 2.2
Dan Huang,Chen Yang,Xueliang Xue,Qinglian Wang,Ting Qiu
Isobaric vapor–liquid equilibrium (VLE) of sec -butyl acetate + para -xylene binary system and methyl acetate + para -xylene + sec -butyl acetate + acetic acid quaternary system were determined at 101.3 kPa in a modified Rose still, so as to provide a basis for the design and simulation of the separation process of acetic acid dehydration system. In the present study, the L–W integral test was used to check the thermodynamic consistency of binary VLE data. The results indicated that the thermodynamic consistency of binary VLE data measured in this paper was satisfactory. Furthermore, binary experimental data were correlated well by three models, which are the NRTL, Wilson and UNIQUAC models, respectively. Subsequently, the corresponding binary interaction parameters of each model were obtained. In addition, the NRTL activity coefficient model in combination with Marek–Standart chemical theory was used to predict the quaternary system VLE data for the association of acetic acid.
研究领域:
化学工程
·
热力学
✓ 已验证
DOI
高影响因子
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