JOURNAL OF MOLECULAR LIQUIDS
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2023
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IF 6
Yingmin Yu,Xinlei Niu,Xiaocheng Zhang,Houchun Yan,Jinshan Wang
In order to remove epichlorohydrin from wastewater, liquid–liquid equilibrium behaviors in the systems {water + epichlorohydrin + solvents (1-hexanol/1-heptanol/2-octanol/1-nonanol)} were determined at 303.2 K under101.3 kPa. The partition coefficients and separation factors in each system were used to compare and discuss the effects of extraction. The σ-profiles were used to discuss the interactions of substances in this work. The experimental data were correlated with the NRTL and UNIQUAC models, to obtain the binary interaction parameters required for each system. The GMcal_TieLinesLL GUI tools were applied to verify the consistency of the binary interaction parameters.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2017
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IF 3.648
Gaoyin He,Liping Wang,Midong Shi,Qingsong Li,Yingmin Yu
The liquid–liquid equilibrium (LLE) data of the ternary systems (water + cyclopentanone + benzene or toluene) were determined at T = 303.2, 313.2, and 323.2 K, under 101 kPa. The reliability of the experimental tie-line data was sufficiently checked by the empirical Hand and Bachman equations. The distribution coefficient and separation factor were used to investigate the distribution of cyclopentanone between water and solvents. The results show that the separation factor decreases with increasing cyclopentanone amounts in organic phase and the influence of temperature is light in the study. The experimental tie-line data were correlated well with the NRTL and UNIQUAC activity coefficient models with a root mean square deviation (RMSD) as low as 0.81 and 0.50.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Haigang Liu,Bing Jia,Weizhen Sun,Shihua Dong
Liquid–liquid equilibrium (LLE) data for water + 2-methyl-3-buten-2-ol + (isopropyl ether or 4-methylpentan-2-ol or p-xylene or ethyl acetate) ternary systems was measured at 308.2 K under 101.3 kPa. Distribution coefficients and separation factors were obtained and applied to evaluate the extraction capacity of selected solvents. Furthermore, the experimental LLE data were successfully correlated by the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models, which showed a root-mean-square deviation (RMSD) of less than 0.78% for all systems.
研究领域:
化学工程
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热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
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IF 2.631
Huanxin Li,Junwei Zhang,Yonghui Dou,Li Xu,Guoji Liu
(Liquid + liquid) equilibrium data for the ternary systems of {(2-Methyl-1-propanol or 3-Methyl-1-butanol) + (1 R ,2 R )-(−)-1,2-Diaminocyclohexane + water} were measured at (288.2–318.2) K under atmospheric pressure. The Othmer-Tobias and Hand equations were employed to verify the reliability of the experimental data. Besides, the distribution coefficients and selectivity factors calculated from the experimental tie-line data were applied to evaluate the extraction performance of separating (1 R ,2 R )-(−)-1,2-Diaminocyclohexane from aqueous solution and 3-Methyl-1-butanol was proved to be very promising. Furthermore, the binary interaction parameter values were obtained by correlating the experimental data with NRTL and UNIQUAC models. All the RMSD values were less than 0.0184, indicating that both models can be used to describe the liquid-liquid equilibrium behaviour of the studied systems.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Hengde Li,Zhangni Feng,Li Wan,Cheng Huang,Tianfei Zhang,Yanxiong Fang
As an eco-friendly compound from essential oils, 1,8-cineole (cineole, eucalyptol) has the potential to replace the ozone depleting industrial solvents. This paper presents experimental (liquid + liquid) equilibrium (LLE) data for four alcohol–water systems containing 1,8-cineole. To evaluate the phase equilibrium properties of 1,8-cineole in aqueous alcohol mixtures, LLE values for the ternary systems (water + methanol or ethanol or 1-propanol or 1-butanol + 1,8-cineole) were determined with a tie-line method at T = 298.15 K under atmospheric pressure. The well-known Hand, Bachman and Othmer–Tobias equations were used to test the reliability of the experimental results. The binodal curves and distribution ratios of alcohol in the mixtures are shown and discussed. The experimental LLE values were satisfactorily correlated by the NRTL and UNIQUAC models.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2015
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IF 2.037
Guo-Min Yu,Li-Sheng Wang,Jian Sun,Lin-Kun Jiang
Using a static analytical method, the solubilities of phosphonic acid, P,P′-(1,4-piperazinediyl)bis-P,P,P′,P′-tetraphenyl ester (PAPBE), N,N′-[1,3-phenylenebis(methylene)]bis(phosphoramidic acid)P,P,P′,P′-tetraphenyl ester (PNBE), and 4-(hydroxymethyl)-1-oxido-2,6,7-trioxa-1-phosphabicyclo [2.2.2] octane (PEPA) were measured from 293.15 K to 343.15 K in four selected organic solvents. Several thermodynamic models were used to correlate the experimental solubility data, such as Scatchard–Hildebrand, Wilson, nonrandom two-liquid (NRTL), and UNIQUAC. The calculated results showed that all the models reproduced the experimental data very well, and the UNIQUAC equation gives the best correlation. Using the group contribution methods, the solubility parameters of phosphorus flame retardants can be calculated, which were compared with the previous values calculated with the Scatchard–Hildebrand model.
研究领域:
物理化学
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材料科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2022
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IF 3.269
Song Lin,Mingyi Xu,Mai Han,Houchun Yan,Yufan Pang,Qingsong Li
The liquid–liquid equilibrium (LLE) data of water + 1,2-Dimethoxyethane (DME) + {isopropyl ether, 1-hexanol, n-heptanol and 4-methyl-2-pentanol (MIBC)} was measured at 303.2 K under 101.3 kPa. The distribution coefficient (D) and selectivity factor (S) based on the experimental data were calculated, and use this to evaluate the extraction effect of the four solvents. Using two thermodynamic models of NRTL and UNIQUAC to fit the experimental data, and obtained the binary interaction parameters. The root means square deviation (RMSD) of the fitting results were all less than 0.75%. The GUI-MATLAB tools were applied to verify the consistency of the binary interaction parameters.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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IF 2.1
Fengzhi Li,Wangfeng Cai,Yang Xiao,Yujie Yao,Yan Wang
Vapor–liquid equilibrium (VLE) data for the acetophenone (AP) and 1-phenylethanol (1-PE) binary system were measured at 3.00, 5.00, 10.00, and 15.00 kPa by using a modified Rose–Williams distiller. The thermodynamic consistency of the experimental data was verified through the Fredenslund test and Van Ness test. The data were correlated using the NRTL, UNIQUAC, and Wilson models, with root-mean-square deviations (RMSDs) for vapor composition (y1) and equilibrium temperature (T) calculated. The findings suggest that the NRTL, Wilson, and UNIQUAC models are appropriate for use in this system.
研究领域:
化学工程
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热力学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2012
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IF 2.422
Yao Chen,Hui Wang,Yanyan Tang,Jun Zeng
Ternary (liquid + liquid) equilibria date for the (water + 2-propanol + α -pinene, or β -pinene) systems were measured at T = (293.15, 298.15, 303.15, and 308.15) K under atmospheric pressure. The experimental results were correlated using the extended and modified UNIQUAC models. The calculated results obtained from the modified UNIQUAC model successfully represent the experimental tie-line data. The temperature influence on liquid-phase equilibria was studied.
研究领域:
化学工程
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物理化学
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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
Shenfeng Yuan,Genlai Bao,Hong Yin,Zhirong Chen
In this article, Aspen Plus was used to simulate a process for separating the mixture of decanol + undecanol + tetradecane + pentadecane to obtain decanol + undecanol product and tetradecane + pentadecane product. Aqueous ethanol solution and octadecane were chosen as potential extractants. First, the liquid–liquid equilibrium (LLE) data of the four quaternary systems {ethanol (1) + decanol (2) + tetradecane (4) + water (6), and ethanol (1) + decanol (2) + pentadecane (5) + water (6), ethanol (1) + undecanol (3) + tetradecane (4) + water (6), ethanol (1) + undecanol (3) + pentadecane (5) + water (6)} and the six-component system {ethanol (1) + decanol (2) + undecanol (3) + tetradecane (4) + pentadecane (5) + water (6)} were obtained at 293.15, 298.15, and 303.15 K under atmospheric pressure. The UNIQUAC model was used to regress the LLE data of the four quaternary systems to obtain the binary interaction parameters, which were used to predict the LLE data of the six-component system. The results showed that the predicted and experimental data were in great agreement. Second, the LLE data of the seven-component system {ethanol (1) + decanol (2) + undecanol (3) + tetradecane (4) + pentadecane (5) + water (6) + octadecane (7)} were obtained at 303.15, 308.15, and 313.15 K under atmospheric pressure, and the binary interaction parameters involving the component octadecane were obtained by data regression using the UNIQUAC model. Finally, a 2500t/a process of separating the mixture of decanol + undecanol + tetradecane + pentadecane was simulated in Aspen Plus with these regressed binary interaction parameters. On optimization, 99.80 wt % decanol + undecanol product and 99.76 wt % tetradecane + pentadecane product were obtained.
研究领域:
化学工程
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工艺模拟
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Cui Wang,Yao Chen,Kai Cheng,Caiyu Wen
(Liquid + liquid) equilibrium (LLE) for the ternary systems of {water + acetone + diethyl carbonate (DEC)} and (water + 2-butanone + DEC) were determined at T = (293.15, 298.15, 303.15, 313.15) K and p = 100 kPa. The reliability of the experimental LLE was verified by the Othmer-Tobias and Bachman equations. The experimental LLE values were correlated with the modified and extended UNIQUAC models. Distribution coefficients and separation factors were calculated from the LLE data to evaluate the extraction capability of the organic solvents.
研究领域:
化学工程
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物理化学
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DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2019
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IF 1.911
Jie Li,Zhijian Peng,Chunshan Li,Ping Li,Rafiqul Gani
In this work, a techno-economic study for the solvent based extraction of methacrylic acid from an aqueous solution is presented. The involved phase equilibrium calculations in process design are verified by measured experimental data. First, experiments are conducted with different solvent candidates to measure LLE (liquid–liquid equilibrium) data and to establish the effects of extraction temperature and dosage of solvent. Next, the binary interaction parameters for the UNIQUAC model to be used for equilibrium calculations are fine-tuned with measured data. Then, a process for the solvent based extraction of methacrylic acid recovery is designed and verified through simulation with the regressed UNIQUAC model parameters. The optimal configuration of the process flowsheet is determined by minimizing the total annualized cost. Among the three solvent candidates considered-cyclohexane, hexane and toluene-the highest efficiency and the lowest total annualized cost is found with toluene as the solvent.
研究领域:
化学工程
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工艺经济分析
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）