FLUID PHASE EQUILIBRIA
·
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
·
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
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2018
·
IF 2.631
Jun Wang,Deyan Wang,Chunxiang Huang,Xueni Sun,Xiaoyong Yue,Hui Shao,Yixin Leng
Isobaric vapour–liquid equilibrium (VLE) data for two binary systems of p-Cresol (PC) + diethanolamine (DEA) and m-Cresol (MC) + DEA were measured at 20.0 kPa. The Herington area method was used to check the binary VLE data, and the results showed good thermodynamic consistency. Meanwhile, the Wilson, NRTL, UNIQUAC models and the chemistry theory proposed by Dolezalek were used to correlate the VLE data. The binary energy interaction parameters for activity models, and reaction equilibrium constants for chemistry theory were obtained. With help of the parameters obtained in this work, the NRTL model was used to predict the VLE data of the two binary systems at the pressure of 8.33 kPa. The predictive results were compared with the literature’s data. At same time, the excess Gibbs free energy for the two binary systems, and infinite dilution activity coefficients for MC and PC in DEA were estimated. The calculated results showed that the DEA had slightly stronger interaction with PC than MC.
研究领域:
化学工程
·
热力学
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2017
·
IF 2.473
Jun Wang,Jie Ou,Xueni Sun,Chunxiang Huang,Jiarui Sun,Hui Shao,Yixin Leng
Isobaric vapour–liquid equilibrium (VLE) data for binary systems containing o-cresol (OC) + m-cresol (MC), OC + 2, 6-dimethylphenol (DMP), and MC + DMP at 20.0 kPa were measured by using a modified Othmer still. Its reliability was confirmed by measuring the saturated vapour pressure data for the components of MC and DMP. Herington area test was used to confirm the thermodynamic consistency for these binary systems, and the results showed good thermodynamic consistency. The binary VLE experimental data were correlated and predicted by Wilson, NRTL, and UNIFAC models. The results correlated by Wilson and NRTL models agree well with the experimental values. The results predicted by UNIFAC are in accordance with experimental data with rational deviations for systems OC + MC and OC + DMP but show relatively large deviations between the predicted values and experimental data for MC + DMP system. By defining the group =COH in DMP and MC as two different groups, the experimental data were correlated, and new groups with binary interaction parameters were obtained. The results calculated by UNIFAC with new defining groups are in accordance with the experimental data.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF THE AMERICAN OIL CHEMISTS SOCIETY
·
2019
·Vol. 96
·期 8
·955-965
·
IF 1.72
Jiaojiao Fang,Ting Zheng,Zhenyu Wu,Lihang Wu,Qinglong Xie,Fan Xia,Meizhen Lu,Yong Nie,Jianbing Ji
Epoxidized oils are eco-friendly plasticizers, which are industrially produced through the epoxidation reaction in a formic acid-hydrogen peroxide autocatalyzed system. The fundamental knowledge to describe the phase equilibrium of systems after epoxidation reaction is lacking, which is crucial for the design of the purification facilities. This work reported experimental data for the liquid–liquid equilibrium of three systems, i.e., epoxidized fatty acid methyl esters + formic acid + water, epoxidized fatty acid 2-ethylhexyl esters + formic acid + water, and epoxidized soybean oil + formic acid + water, in the temperature range (303.15–348.15) K under atmospheric pressure. The results indicated that the liquid–liquid equilibrium constant of formic acid in the systems followed the order of epoxidized fatty acid 2-ethylhexyl esters > epoxidized fatty acid methyl esters > epoxidized soybean oil. Moreover, the obtained experimental data were correlated using nonrandom two liquid (NRTL) and universal quasi chemical (UNIQUAC) models. The maximum root mean square deviation (RMSD) values as low as 0.0052 and 0.0263 were estimated using the NRTL and UNIQUAC model, respectively. The NRTL model is more suitable than the UNIQUAC model to describe the liquid–liquid equilibrium behavior of these ternary systems.
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
FLUID PHASE EQUILIBRIA
·
2014
·
IF 2.241
Hao Li,Shuqian Xia,Peisheng Ma,Fangyou Yan,Zhen Yang,Yang Li
Bio-oil, derived from biomass flash pyrolysis, has been recognized as an important renewable resource for resolving the current energy crisis. However, the pyrolysis oil consists of complicated composition and has some undesired properties, including acidity, relatively high viscosity, limited thermal stability, low heating value, which hinder the direct application of bio-oil. So, separation and purification of the pyrolysis oil are important and the phase equilibrium data of the bio-fuel related mixtures is essential for the design and simulation of the processes. In this context, isobaric vapor–liquid equilibrium (VLE) data for the three binary mixtures in the pyrolysis oil, toluene + anisole, n-butylbenzene + anisole, and guaiacol + anisole, have been measured at 101.33 kPa by a modified Rose–Williams still. All of the experimental VLE data were checked by the Herington analysis method and were verified the thermodynamic consistency. No azeotropic behavior was observed in the three binary systems. The measured data were well correlated by the non-random two-liquid (NRTL), universal quasi-chemical activity coefficient (UNIQUAC), and Wilson model, respectively. The corresponding parameters for the three models were obtained. The average absolute deviations of the temperature and the vapor compositions correlated by the three models for all the systems are below 0.55 K and 0.019, respectively.
研究领域:
化学工程
·
可再生能源
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
·
IF 2.631
Qingsong Li,Bing Jia,Liping Wang,Mengmeng Yan,Hai Liu,Yingmin Yu
The liquid-liquid equilibrium (LLE) data for the water + 2,2,3,3-tetrafluoro-1-propanol + isopropyl ether/tert-butyl methyl ether ternary systems were measured at 298.2 K and 308.2 K under 101.3 kPa. The distribution coefficients and separation factors were employed to assess the capacity of solvents to extract 2,2,3,3-tetrafluoro-1-propanol from aqueous solution. Meanwhile, the reliability of the experimental data was confirmed using the Bachman and Hand equations. The NRTL and UNIQUAC models were used to correlate the experimental data and relevant binary interaction parameters were regressed. The root mean square deviations (RMSD) of the NRTL and the UNIQUAC models were less than 0.5%, which indicate that the experimental LLE data can be successfully correlated by both models.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Jinbo Ouyang,Bing Na,Guoxuan Xiong,Li Xu,Tianxiang Jin
The solubility of benzophenone in various pure solvents, including water, ethanol, 1-propanol, isopropanol, methanol, 1-butanol, isobutanol, 1-octanol, acetonitrile, acetone, ethyl acetate, and methyl acetate, has been measured at temperatures between 278.15 and 318.15 K by a gravimetric method under atmospheric pressure. The solubility obtained in the selected pure solvents increases with the increasing temperature. Several thermodynamic models, including the modified Apelblat model, NRTL model, and Wilson model, were applied to correlate the measured solubility. It was found that the correlated results of the three models were in good agreement with the experimental results. In addition, the dissolution thermodynamic properties of benzophenone in the pure solvents were determined.
研究领域:
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Yanxiao Zhao,Haiyan Yang,Zeren Shang,Tingting Gong,Xu Zhang,Songgu Wu
Glibenclamide (GCM) is an oral antihyperglycemic drug and widely used to treat type-II diabetes. The quality of the GCM product impacts the efficacy of the medicine. However, the quality of the product is determined by the crystallization process, in which the solubility property plays a significant role. In this study, GCM solubility in 11 monosolvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, acetonitrile, methyl isobutyl ketone, methyl acetate and ethyl acetate) and (acetone + acetonitrile) binary solvents, has been determined through a gravimetric method from 283.15 K to 323.15 K. It elucidates that GCM has the highest solubility in acetone among the 11 monsolvents. Meanwhile, the solubility of GCM in (acetone + acetonitrile) binary solvents increases when the mole fraction of acetone rises. Then, we correlated the solubility data in monosolvents using the modified Apelblat model and nonrandom two-liquid (NRTL) model. Besides, the modified Apelblat model, the CNIBS/R-K model, Jouyban–Acree model, and NRTL model were adopted to fit the data in (acetone + acetonitrile) mixture solvents. Furthermore, thermodynamic properties were calculated on the basis of the NRTL model.
研究领域:
药物化学
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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
·
2019
·
IF 2.298
Chong Yang,Zhijing Cai,Hong Chen,Yepeng Xiao,Hui Wang,Yiqiang Deng,Lihua Cheng
In the reported study, experimental liquid–liquid equilibrium (LLE) data for extracting isopropanol from cyclohexane utilizing 1,4-butanediol, 1,2-propanediol, dimethyl sulfoxide, and N,N-dimethylformamide as solvents were obtained at 303.2 K and atmospheric pressure. The separation factors derived from experimentally measured LLE data were computed to determine the extracting capability of the different solvents, and Othmer–Tobias, Hand, and Bachman equations were used to estimate the reliability and consistency of the LLE data. In addition, the nonrandom two-liquid (NRTL) thermodynamic model in Aspen Plus software was used to regress the LLE data, providing optimized binary interaction parameters. The regression results agreed well with the experimentally determined LLE values, indicating that the NRTL method was suitable to correlate the LLE data for the four ternary systems.
研究领域:
化学工程
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
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