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
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
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可再生能源
✓ 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
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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
·
2022
·
IF 3.119
Mengyang Guo,Ye Jiang,Yonghong Li,Yanyu Wei,Hanxi Li
The isobaric vapor–liquid equilibria (VLE) of two binary mixtures (adiponitrile + 2-methylglutaronitrile and adiponitrile + trans-3-pentenenitrile) at 5 and 10 kPa were measured using a modified Rose–Williams still. The thermodynamic consistency of the VLE data was tested by the Wisniak method and the Fredenslund method. The isobaric VLE data were correlated with four activity coefficient models of Margules, van Laar, Wilson, and NRTL, and the parameters of the models were obtained by the ordinary least-squares method. The isobaric VLE data were compared with the original UNIFAC predictive model. Furthermore, the excess Gibbs free energy of studied mixtures was determined. The RMST and RMSy1 were determined to evaluate the regression results. The results show that the Wilson model has a better correlation effect than other models.
研究领域:
化学工程
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热力学
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2018
·
IF 2.197
Shujie Li,Xiaoling Huang,Qiang Huang,Tongtong Guo,Shuaishuai Yun,Chunlan Ban,Guopeng Shen
The vapor-liquid equilibria at 101.3 kPa of seven binary systems: ethanol (1) + cyclohexane (2), ethanol (1) + n-hexane (2), ethanol (1) + n-octane (2), cyclohexane (1) + ethyl propionate (2), n-hexane (1) + ethyl propionate (2), n-octane (1) + ethyl propionate (2) and ethanol (1) + ethyl propionate (2), three ternary systems : ethanol (1) + cyclohexane (2) + ethyl propionate (3), ethanol (1) + n-hexane (2) + ethyl propionate (3) and ethanol (1) + n-octane (2) + ethyl propionate (3) at temperatures from 332.15 to 396.85 K were studied, all the binary VLE data passed the Herington test. Wilson, NRTL and UNIQUAC models were used to correlate experimental VLE data of the all systems to obtain interaction parameters through the MATLAB software and the experimental values were compared with the regression results. The Wilson and NRTL models reproduced the experimental values very well. Ternary VLE behavior were successfully predicted by the correlated binary parameters. The VLE data for the binary and ternary systems predicted by the correlated interaction parameters were in good agreement with all 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
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
·
2024
·Vol. 38
·期 3
·799-810
·
IF 1.3
Adel Noubigh
The solubility of two natural phenolic compounds (vanillic acid (VA) and vanillin (V)) in four individual solvents (ethanol, butan-2-ol, ethylene glycol, and ethyl acetate) was measured using the gravimetric method from 283.15 to 323.15 K at atmospheric pressure. The optimization of the complexes between VA–solvents and V–solvents using the B3LYP theoretic technique and the 6-31+G (d, p) basis set indicated that the absolute value of interaction energy was higher, suggesting that the interaction between solute and the solvent was stronger. In addition, two excellent activity coefficient models (NRTL and Wilson) were used to correlate and evaluate the equilibrium solubility results. The highest relative average deviation and root-mean-square deviation values for VA are 4.36% and 3.09 × 10-3, respectively, and 3.35% and 5.52 × 10-3 for V. Furthermore, the excess enthalpy of the solution was determined on the basis of thermodynamic relations and the Wilson model. The findings indicate that the dissolution process was endothermic.
KEY WORDS: Solid-liquid equilibrium, Vanillin, Vanillic acid, NRTL and Wilson models, Thermodynamic parameters
Bull. Chem. Soc. Ethiop. 2024, 38(3), 799-810.
DOI: https://dx.doi.org/10.4314/bcse.v38i3.19
研究领域:
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
·
2025
·
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
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2017
·
IF 2.726
Hui Ding,Wenjing Ke,Dan Zhao,Lulu Wang,Yujie Gao,Shejiang Liu
In this work, we measured the isobaric vapor-liquid equilibrium (VLE) data for the binary system of methyl caprate (1) + methyl laurate (2) at 2,4 and 6 kPa with a modified Othmer still. The point consistency test of Van Ness test method was applied to check the thermodynamic consistency of all the experimental values, which guaranteed the reliability of our measurements. Afterwards, the experimental data were regressed by two activity coefficient models (Wilson, NRTL). Furthermore, we made the data prediction with the group contribution method (UNIFAC) and the COSMO-SAC model. The results of all the regressions and predictions are satisfying and reasonable, while the results provided by the NRTL model are relatively better than the other three models, with the root mean square deviations of temperature and vapor-phase mole fraction less than 0.33 K and 0.0069, respectively.
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 CHEMICAL THERMODYNAMICS
·
2018
·
IF 2.631
Jiahao Pan,Xiangjun Li,Wujie Zhang,Wei Cui,Zhihong Zhou,Dianhua Liu
Isobaric vapour-liquid equilibrium (VLE) data for the binary systems of ethyl iodide with ethanol, propionic acid and ethyl propionate at 101.3 kPa were measured in an Ellis equilibrium still, and the thermodynamic consistency of the experimental data was checked by the Herington area method and Van Ness method. The non-random two-liquid (NRTL), universal quasichemical (UNIQUAC), and Wilson models were applied to correlate the measured VLE data. All three models represent the experimental values quite well. The system (ethyl iodide + ethanol) presents a minimum azeotropic boiling point at 101.3 kPa, in which the azeotropic temperature and composition are 336.08 K and 63.445 mol% (ethyl iodide). The azeotropic behavior was not found in the other two 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
JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Qiang Huang,Yu Tao,Huichang Li,Lihua Guo,Liye Wang,Chunlan Ban,Guopeng Shen
In this study, The solubility of (R,S)-mandelic acid in different solvents, including mono-solvent (H 2 O, methanol, ethanol, n-propanol, isopropanol) and binary solvents (methanol + H 2 O, ethanol + H 2 O, n-propanol + H 2 O, isopropanol + H 2 O, n-butanol + H 2 O), using analytical stirred-flask method and weight analysis method to determine the compositions of the saturated solutions at the atmospheric pressure. We found that the experimental solubility values increased with the rising of temperature accordingly. The experimental solubilities were correlated by the Ideal model, Apelblat model, λh (Buchowski) model, Wilson model, NRTL model. The results have shown that the Wilson model is the best model, which correlates the solubility of (R, S)-mandelic acid in the mono-solvent and binary solvents and fits well with experimental data. In addition, the thermodynamic properties of dissolution were calculated according to Van’t Hoff equation and experimental solubility, including Gibbs energy, entropy and enthalpy. The result confirms that the dissolution process in all solvents is always endothermic and entropy driven.
研究领域:
化学
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2015
·
IF 2.2
Zhixian Huang,Ling Li,Miaomiao Zhou,Haiming Jiang,Ting Qiu
Vapor–liquid equilibrium data for ethyl trifluoroacetate + trifluoroacetic acid , ethyl trifluoroacetate + ethanol, and trifluoroacetic acid + water at the pressure 101.3 kPa were measured with a modified Rose still. The thermodynamic consistency of the VLE data was confirmed by Herrington’s method. The VLE data were correlated by the NRTL and Wilson models with satisfactory results, and the interaction parameters of these mixtures were estimated.
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 MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Shuai Yu,Yan Cheng,Wenguo Xing,Fumin Xue
The solubility of gliclazide in five different binary solvent mixtures , (i.e. acetone-water, tetrahydrofuran-water, N , N -dimethylformamide-water, acetone-ethanol, and chloroform-ethanol) was measured in the temperature rang 278.15–318.15 K and at atmospheric pressure by a gravimetric method. The results show that the solubility of gliclazide increases with an increase in temperature and an increase in the mole fraction of nonpolar aprotic solvent . The combined nearly ideal solvent / Redlish-Kister (CNIBS/R-K) model, modified Jouyban-Acree model, non-random two-liquid (NRTL) model, and the Wilson model were selected to correct the solubility data. It was found that, solvent polarity has a critical effect on the solubility of gliclazide. The CNIBS/R-K model, with maximum RAD and RMSD values of 0.0540 and 0.000131, respectively, was found to be the best-fitting model for solubility data correction in the selected binary solvent mixtures. RAD values of all the selected thermodynamic models were <0.0806, that is, these equations produced well fitted results for the solubility data of gliclazide. These experimental data are of great significance for investigation of the crystallization process of gliclazide.
研究领域:
药学
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物理化学
·
药物结晶工艺
✓ 已验证
产品关联
DOI
高影响因子
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