JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Yuanyuan Han,Houchun Yan,Mai Han,Wei Wang,Jia Han,Tao Xing,Bing Li,Qingsong Li
The basic liquid–liquid equilibrium data of two systems {water + 2-propanol (IPA) + 1-octanol/n-propyl acetate} were measured. The distribution coefficients of the 2-propanol and the separation factors of the systems were calculated to analyze the extraction ability of the two extractants that extract IPA from water. The correlation model Hand equation was used to fit the data. The value of the linear correlation coefficient R2 > 0.99 indicates that the linear fit of the experimental data is good. The theoretical models NRTL and UNIQUAC were used to correlate the measured data. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD). The RMSD < 0.01 means that the two models were suitable for the regression of the systems studied in this work. GUI-MATLAB has validated the binary interaction parameters. The basic data obtained from this work can support the separation of water and IPA.
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
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2024
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IF 2.2
Erkang Li,Jiajun Wei,Lei Li,Xinlei Niu,Yulin Shao,Yingmin Yu
To prevent the wastewater containing 2-ethoxyethanol (2EE) from causing environmental pollution and economic waste, liquid–liquid extraction was used to recover 2-ethoxyethanol from wastewater in this study. The liquid–liquid equilibrium behavior of water + 2-ethoxyethanol + four solvents (propyl acetate, isopropyl acetate, n-butyl acetate, and isobutyl acetate) was investigated at 303.2 K and atmospheric pressure. The distribution coefficient ( D ) and separation factor ( S ) were used to compare and discuss the extraction efficiency of each system. The results indicated that all esters could effectively separate 2-ethoxyethanol from water. Among them, isobutyl acetate exhibited the highest values for D and S , demonstrating its superior separation capability. The experimental data were correlated with the thermodynamic model and interaction parameters were obtained. These parameters were verified using the GUI-MATLAB tool, and all four systems passed validation, confirming the reliability of the obtained binary interaction parameters. Furthermore, the root mean square deviation ( RMSD ) was used to assess the deviation between the experimental and regression values. The RMSD values for the NRTL and UNIQUAC models were 0.008 and 0.007, respectively. The interactions between 2-ethoxyethanol and water or esters were explored using σ-Profile, and it was found that esters with a branched chain structure provided better extraction. To explain the properties of the extractants microscopically, the interaction energies between 2-ethoxyethanol molecules and water or ester molecules, as well as the non-bonding energies of 2-ethoxyethanol in different media, were calculated.
研究领域:
环境工程
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化学工程
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热力学
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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
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IF 2.2
Yang Feng,Entao Yang,Leping Dang,Hongyuan Wei
Liquid–liquid phase equilibrium data for ternary systems containing formamide (or ethylene glycol (EG), monoethanolamine (MEA) + indole + 2-methylnaphthalene (2-MN) at 308.15 K under atmospheric pressure were measured in this work. The results show that all the three ternary systems are Treyball type 1 systems. The experimental data were correlated well using both the non-random two liquid (NRTL) model and universal quasi-chemical activity coefficient (UNIQUAC) model. In addition, both the distribution coefficient and selectivity coefficient of formamide, EG and MEA were calculated to investigate the feasibility of extracting indole from 2-MN and formamide presented a better selectivity.
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
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2018
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IF 2.196
Pengshuai Zhang,Chi Zhang,Rui Zhao,Yameng Wan,Zhongkai Yang,Ruyi He,Qiliang Chen,Tao Li,Baozeng Ren
The solubility of florfenicol form A in eight pure organic solvents (propionic acid, ethanol, 1-propanol, 1-butanol, 2-propanol, 2-methyl-1-propanol, 3-methyl-1-butanol, and 2-ethyl-1-hexanol) and three binary solvents (dimethyl sulfoxide + ethanol, dimethyl sulfoxide + 1-propanol, and dimethyl sulfoxide + 1-butanol) was measured by a laser dynamic method at temperature from 283.15 to 323.15 K. The experimental results show that the mole fraction solubility of florfenicol in the pure solvents decreased according to the following order: ethanol > 1-propanol > 2-propanol > 1-butanol > 3-methyl-1-butanol > 2-methyl-1-propanol ≈ propionic acid > 2-ethyl-1-hexanol. The experimental results show that the mole fraction solubility of florfenicol form A in the binary solvents increased with the increase of temperature and dimethyl sulfoxide mass fraction. The experimental solubility data were well correlated with the four thermodynamic models: modified Apelblat equation, λh equation, NRTL model equation, and Wilson model equation. The modified Apelblat model equation was regarded as the best one to fit the experimental values in the pure solvents.
研究领域:
药学
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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
Jie Li,Hui Zhao,Lei Wang,Zhijian Peng,Chunshan Li
In this work, the isothermal liquid–liquid equilibrium (LLE) and isobaric vapor–liquid equilibrium (VLE) of the methacrolein–methacrylic acid–water ternary mixture were systematically measured using an LLE cell and improved Rose–Williams still under atmospheric pressure. The thermodynamic consistency of LLE data and VLE data was tested by the Othmer–Tobias and Van Ness methods, respectively. The NRTL, UNIQUAC, and Wilson activity coefficient models have been conducted to correlate binary parameters in prediction phase equilibrium based on experimental data. The reliability of three models in equilibrium calculations has been analyzed in detail. All three models are in good agreement with the experimental data.
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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2023
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IF 2.6
Jinbei Yang,Yichun Huang,Yang Wang,Jinyi Chen,Meiqiong Yu
Isobaric vapor–liquid equilibrium (VLE) data for the four binary systems of n-butyric acid with water, isopropyl acetate, n-propyl acetate, and n-methylpyrrolidone were measured experimentally by a modified Rose still at the local atmospheric pressure of 99.8 kPa. All of the experimental VLE data for the four binary systems passed the Van Ness thermodynamic consistency test. Two activity coefficient models, namely, the NRTL and Wilson models, were selected to correlate the VLE data, and the binary interaction parameters were regressed with the two models. The result indicates that a homogeneous azeotropic behavior can be found for the two binary systems of water + n-butyric acid and n-butyric acid + n-methylpyrrolidone, and the obtained VLE data correlate well with the two models. There is no binary azeotropic behavior between n-butyric acid and isopropyl acetate/n-propyl acetate, indicating that isopropyl acetate and n-propyl acetate can be used as extractants and azeotropic agents for the extraction–azeotropic distillation separation of n-butyric acid and water.
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
SEPARATION AND PURIFICATION TECHNOLOGY
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2025
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IF 9
Wei Chen,Yan Ding,Fang Wang,Zhixia Xu,Qing Ye,Jinlong Li,Patrice Paricaud
The vapor-liquid equilibria of binary mixtures of ethylene glycol diacetate (EGDA) + o-chlorotoluene (OCT) and EGDA + cyclohexylbenzene (CHB), and the liquid-liquid equilibria (LLE) in ternary mixtures of ethylene glycol (EG) + EGDA + o-chlorotoluene and EG + EGDA + cyclohexylbenzene are measured in this work. The new data have been described with the NRTL thermodynamic model. The heterogeneous extractive distillation and liquid-liquid phase separation process for the investigated systems are then simulated using the Aspen Plus software and the adjusted thermodynamic model. The influence of key process parameters such as the ratio of solvent flow rate to feed flowrate, the plate number and the reflux ratio on the separation process are analyzed in detail, and the optimal process parameters are determined. An economic and environmental study of the process is then performed. It is found that the two extractants (o-chlorotoluene and cyclohexylbenzene) can achieve a good EG + EGDA azeotrope separation. The purities of both EG and EGDA products are greater than 99.50 wt% in the two processes. The predicted selectivity obtained with o-chlorotoluene is higher than the one obtained with cyclohexylbenzene process. However, the cyclohexylbenzene process is found to be was more environmentally friendly, and the utility costs and CO 2 emissions of are lower. This work brings new insights in the design and optimization for the separation of EG and EGDA azeotropic mixtures.
研究领域:
化学工程
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过程系统工程
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热力学
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环境工程
✓ 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
Shenfeng Yuan,Yi Chen,Hong Yin,Zhirong Chen
In this work, the suitability or potential of ethanol aqueous solutions as a solvent for the extraction of alcohols from alcohol–alkane mixtures was studied. Experimental liquid–liquid equilibria (LLE) data of four quaternary systems {ethanol (1) + octanol (2) + dodecane (4) + water (6)}, {ethanol (1) + octanol (2) + tridecane (5) + water (6)}, {ethanol (1) + nonanol (3) + dodecane (4) + water (6)}, and {ethanol (1) + nonanol (3) + tridecane (5) + water (6)} were determined at T of 293.15, 298.15, and 303.15 K under atmospheric pressure. The nonrandom two-liquid model model was used to correlate binary interaction parameters. The parameters obtained from quaternary systems were used to predict six-component system LLE data. The predicted LLE data were in good agreement with the experimental data. The results showed that 75 wt % ethanol aqueous solution was suitable for separating octanol and nonanol from octanol + nonanol + dodecane + tridecane mixture and that 298.15 K was the suitable temperature.
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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2017
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IF 2.323
Fang Zhang,Yanqing Zhu,Yi Yu,Li Xu,Guoji Liu
The solid–liquid equilibria (SLE) in the ternary system of 2-methyl-1,4-naphthoquinone (2-MNQ) + phthalic anhydride (PA) + 1,4-dioxane were determined experimentally by using the isothermal dissolution equilibriam method within temperatures 283.15, 293.15, and 303.15 K, respectively. The ternary phase diagram could be helpful in the separation of 2-MNQ and PA. On the basis of the experimental data on solubilities the phase diagrams of the system were plotted. Two pure solid phases were formed at 283.15, 293.15 and 303.15 K, including pure PA and pure 2-MNQ, which were confirmed and determined by Schreinemakers’ wet residue method. The phase diagram at 283.15 K is similar to those at 293.15 and 303.15 K and the crystalline regions of 2-MNQ and PA decrease with increasing temperature. NRTL and Wilson model were employed to correlate and calculate the solubility data for the ternary system. A comparison between the two models shows that the NRTL model agrees better with the experimental data than those with the Wilson model. In addition, the densities of equilibrium liquid phase were obtained at the corresponding temperatures versus composition in the system.
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
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2020
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IF 2.888
Tao Zhang,Ao Li,Xin Xu,Yixin Ma,Dongmei Xu,Lianzheng Zhang,Jun Gao,Yinglong Wang
Acetone and n -heptane are widely applied in pharmaceutical industry as benign solvents and are observed in the wastewater. Because acetone and n -hexane can form an azeotropic mixture, it is impossible to recover acetone and n -heptane with high purity from the wastewater using conventional distillation. In this research, for separating the azeotrope (acetone + n -heptane) by homogeneous extractive distillation, 1-chlorobutane and butyl propanoate were chosen as the intermediate and heavy boiling entrainers. The isobaric vapour-liquid equilibrium (VLE) behaviour for the three binary systems (acetone + 1-chlorobutane), (butyl propanoate + acetone) and ( n -heptane + butyl propanoate) were reported at 101.3 kPa. The values of the excess Gibbs energy ( G E ) were calculated to explore the nonideal of the systems. The thermodynamic consistency of the determined VLE values was checked by the van Ness and Herington tests. In addition, the determined VLE data were fitted by the UNIQUAC, Wilson, and NRTL models. The parameters of those models were regressed, which are helpful for simulating the separation process with the intermediate and heavy boiling entrainers by extractive distillation.
研究领域:
化学工程
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热力学
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分离过程
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
·
IF 3.178
Xuemei Zhang,Feiyan Yang,Chungui Jian,Hongwei Wang,Wangxin Kong,Guangjin Shangguan,Meifang Xia
Liquid-liquid equilibrium (LLE) data for the ternary system of (2-methyl-2-butanol + water + n -octanol) were determined at 303.15 K, 313.15 K, and 323.15 K under atmospheric pressure. The Hand equation, the Othmer-Tobias equation, and the mass balance between the feed and the conjugated phases were used to test the reliability of the experimental LLE data. The results show that the correlation coefficients ( R 2 ) of the equations are close to 1, and the relative error of mass balance is less than 0.5%. The selectivity ( S ) was used to evaluate the capacity of n -octanol to extract 2-methyl-2-butanol from the water, which is much greater than 1. Furthermore, S decreases with the mass fraction of 2-methyl-2-butanol in the aqueous phase and increases with equilibrium temperature. The NRTL and UNIQUAC models were applied to correlate the experimental LLE data, and the binary interaction parameters were obtained. The root-mean square deviations (RMSDs) for the two models obtained are less than 1.1%.
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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2020
·
IF 2.369
Miyangzi Suo,Bokun Chen,Yu Qian,Siyu Yang
The synergistic effect for a solvent mixture of diisopropyl ether and n-Pentanol to extract hydroquinone from aqueous solution was investigated. Liquid–liquid equilibrium data of the quaternary (n-Pentanol + diisopropyl ether + water + hydroquinone) system were measured at T = 298.15 K and P = 101.3 kPa, using various compositions of solvent mixture. It can be seen from the slope of the tie lines that with the increase of distribution coefficients of hydroquinone, the size of the immiscible solution region decreased slightly. The extraction efficiency was evaluated by calculating the separation factor and distribution coefficient. Using the universal quasichemical (UNIQUAC) and nonrandom two-liquid (NRTL) models to correlate with experimental data, the corresponding binary interaction parameters were obtained. The RMSD values of UNIQUAC and NRTL models showed that the calculated results were in good agreement with the liquid–liquid equilibrium data.
研究领域:
化学工程
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物理化学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）