JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Kun Yue,Jiani Lu,Peiyu Chen,Shaonan Gu,Guowei Zhou
Vapor–liquid equilibrium (VLE) data for the ternary system of acetonitrile + ethanol + ionic liquids (ILs) were obtained at 101.3 kPa, and used ILs were 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([BMIM][NTf2]), 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]), and 1-butyl-3-methylimidazolium diethylphosphate ([BMIM][DEP]). The nonrandom two-liquid (NRTL) model was used to correlate the VLE data and fitted well, indicating that the minimum mole fractions of [BMIM][NTf2], [EMIM][NTf2], and [BMIM][DEP] to eliminate the azeotrope was 0.053, 0.063, and 0.065, respectively. These ILs led to an outstanding “salting-in” effect on ethanol, and the salting effect on acetonitrile was inapparent. Higher concentrations of ILs signified a stronger salt effect as well as higher equilibrium temperatures. The results indicated that [BMIM][NTf2], [EMIM][NTf2], and [BMIM][DEP] could be used as good candidate entrainers to separate acetonitrile and ethanol in extractive distillation.
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
FLUID PHASE EQUILIBRIA
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2020
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IF 2.838
Jinbei Yang,Shucui Han,Qiuju Xu,Meiqiong Yu
The density and viscosity of pure liquid 2, 4-dichlorofluorobenzene and 2, 6-dichlorofluorobenzene were measured in the temperature range of (318.15–348.15) K at the local atmospheric pressure of 99.8 kPa. The saturated vapor pressures of pure 2, 4-dichlorofluorobenzene and 2, 6-dichlorofluorobenzene and the isobaric vapor-liquid equilibria (VLE) data for the 2, 4-dichlorofluorobenzene + 2, 6-dichlorofluorobenzene binary system at atmospheric pressure were determined experimentally by a modified Rose still. The density values were accurately described by DIPPR equation. The viscosity data were well correlated using the Litovitz, Ghatee and VFT, and Andrade equations, and the VFT equation shows the best accuracy. Both Antoine and Riedel equations can well describe the relationship between saturated vapor pressure and temperature, which meet the requirements of engineering design. The Riedel equation is more accurate due to the lower average relative deviation. The VLE data were successfully correlated with NRTL and Wilson activity coefficient models, and the interaction parameters were obtained. The result indicates that there is no azeotrope in the binary mixture. The above thermodynamic properties of pure component and the VLE data presented are crucial for the design and operation of distillation for the isomeric mixture separation of 2, 4-dichlorofluorobenzene + 2, 6-dichlorofluorobenzene.
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
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2024
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IF 3.8
Shufen Wang,Jinrou Wei,Hongzhao Xie,Xiaopeng Chen,Jie zhen Liang,Xiaojie Wei,Jie Huang,Linlin Wang
The phase equilibrium relationships of resin systems are indispensable for resin tapping, distillation, and investigating the release of terpenes in biogenic volatile organic compounds (BVOCs). Herein, we obtained the vapor–liquid equilibrium (VLE) data of monoterpene-sesquiterpene systems that contain resin acid by a headspace gas chromatography (HS-GC). There is no azeotropic behavior between terpenes, and abietic acid was found to inhibit the volatilization and separation of terpenes. Furthermore, the saturated vapor pressure of the systems almost triples when the experimental temperature increases from 313.15 to 333.15 K, which may exacerbate terpene emissions in ecosystems. Additionally, the thermodynamic consistency of the VLE values was confirmed by van Ness test, and the experimental data were correlated using NRTL, UNIQUAC, and Wilson activity coefficient models, while the Conductor-like Screening Model for Real Solvents (COSMO-RS) model was utilized for predictions. All of the data satisfy thermodynamic consistency, and the correlation results and prediction results demonstrate good adherence of the activity coefficient models to experimental values and the positive capacity of COSMO-RS in predicting the VLE relationship for the pine resin systems, respectively.
研究领域:
生态学
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化学工程
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植物学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Xihua Wei,Ou He,Yucong Jiang,DongPing Shen,Lianzhong Zhang
Performance of some novel mixed solvents as entrainers was tested for acetonitrile dehydration by extractive distillation. The mixed solvents are composed of ethylene glycol (EG) and choline chloride (ChCl) (EG + ChCl 8:1, EG + ChCl 4:1, EG + ChCl 2:1, and EG + ChCl 4:3), ethylene glycol (EG) and glycerol (EG + glycerol 1:1, EG + glycerol 1:2, EG + glycerol 1:4, and EG + glycerol 1:6), and dimethyl sulfoxide (DMSO) and ChCl (DMSO + ChCl 14:1). Isobaric vapor–liquid equilibrium (VLE) data were measured at 101.3 kPa and at a solvent-free acetonitrile mole fraction of 0.95 for the quaternary systems of water + acetonitrile + EG + ChCl, water + acetonitrile + EG + glycerol, and water + acetonitrile + DMSO + ChCl and for the ternary system of water + acetonitrile + DMSO. The NRTL equation was used for the correlation of the experimental VLE data. For all the three quaternary systems and one ternary system, the mean absolute deviations of equilibrium temperature were no more than 0.33 K, and the mean absolute deviations of water and acetonitrile vapor phase mole fractions were no more than 0.0026 and 0.0047, respectively. The mixed solvent EG + ChCl 4:3, which is also a deep eutectic solvent, showed favorable solvent performance. The azeotrope of water + acetonitrile can be removed at a solvent mass fraction of 0.212 or a solvent mole fraction of 0.104. This amount is less than that of EG (0.367 in mass fraction and 0.227 in mole fraction), EG + glycerol 1:6 (0.341 in mass fraction and 0.195 in mole fraction), and DMSO + ChCl 14:1 (0.266 in mass fraction and 0.153 in mole fraction).
研究领域:
化学工程
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分离科学
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2021
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IF 2.694
Gongran Ye,Yibo Fang,Yalun Li,Zhikai Guo,Lin Wang,Xiaohong Han
The absorption refrigeration system (ARS) was important for energy saving, which can be driven by low-grade energy. In this work, the mixtures of trans-1,3,3,3-tetrafluoropropene (R1234ze(E)) + N-methyl-2-pyrrolidone (NMP) and R1234ze(E) + triethylene glycol dimethyl ether (DMETrEG) were considered as the promising new working fluids for ARS. The vapor–liquid equilibrium (VLE) data of R1234ze(E) + DMETrEG and R1234ze(E) + NMP binary mixtures were measured using a liquid-recirculation apparatus from 293.15 to 353.15 K. The VLE data were correlated by the five-parameter non-random two-liquid activity coefficient model, and the correlated results showed a good agreement with the experimental VLE data. The average absolute relative deviation and maximum absolute relative deviation of the pressure were 1.70 and 5.11% for R1234ze(E) + NMP and 1.30 and 3.22% for R1234ze(E) + DMETrEG, respectively. The two binary mixtures exhibited positive deviations from Raoult’s law.
研究领域:
热力学
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化学工程
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制冷技术
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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
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
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热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
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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
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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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2012
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IF 1.693
Baimei Yang,Hui Wan,Guofeng Guan
Isobaric vapor–liquid equilibrium (VLE) data are reported for binary mixtures of methyl formate + o-xylene, methyl formate + m-xylene, methyl formate + p-xylene, and methyl formate + ethylbenzene at 101.33 kPa. The data are obtained using a vapor recirculating type (modified Othmer's) equilibrium still. All of the binary systems show positive deviation from ideality. None of the systems form an azeotrope. The VLE data for these binary systems are checked to meet rigorous thermodynamic consistency by the Herington method and the point-to-point test of the Fredenslund method. The experimental VLE data are well-correlated by the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson equations.
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 AND ENGINEERING DATA
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2017
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IF 2.323
Xiaoda Wang,Yuan Gao,Jinbei Yang,Zhixian Huang,Ting Qiu
The density and viscosity of the cyclopropyl methyl ketone (CPMK) + 2-acetylbutyrolactone (ABL) and CPMK + 5-chloro-2-pentanone (CPE) binary mixtures were measured at the temperature range of 303.15 to 333.15 K at atmospheric pressure (about 101.325 ± 0.3 kPa). The excess molar volume and viscosity deviation were calculated based on the experimental data of density and viscosity, and they could be accurately described by the Redlich–Kister equation. In addition, the vapor–liquid equilibrium (VLE) data for the CPMK-ABL binary system were measured at atmospheric pressure. It was shown that there is no azeotrope in this binary mixture. The VLE data were correlated with NRTL, Wilson, and UNIQUAC models and the interaction parameters obtained were reported. The prediction accuracies of these models were about the same.
研究领域:
物理化学
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化工热力学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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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
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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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2016
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IF 1.835
Xiaohong Han,Zhangzhang Yang,Zanjun Gao,Wenjie Guan,Guangming Chen
Fluoroethane (HFC-161) is one of the most promising alternative refrigerants because of its excellent environmental and thermodynamic properties. It was considered as one of the most promising absorption working fluids in the absorption refrigeration. To make a better application of the refrigerant in absorption refrigeration systems, suitable absorbents should be selected for matching HFC-161. Vapor–liquid equilibrium (VLE) data is the key of the chemical engineering simulation and the refrigeration cycle calculation. On the basis of these, the vapor–liquid equilibrium data for the mixture of HFC-161 + dimethyl ether triethylene glycol were obtained at temperatures from 293.15 to 353.15 K by using a recirculation apparatus. The VLE data were then correlated by the Peng−Robinson (PR) equation of state combined with the modified Huron-Vidal first order (MHV1) mixing rule and nonrandom two liquid (NRTL) model. The experimental results had a good consistency with calculated values. Phase behaviors of HFC-161 combined with different absorbents were compared in this paper.
研究领域:
化学工程
·
制冷技术
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2023
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IF 6
Yahui Yin,Weiping Liu,Xia Li,Yu Zhou,Xianzhen Xu
The vapor–liquid equilibrium (VLE) data of amino acids holds immense importance in chemical engineering. The VLE data of L-Alanine + H 2 O, DL-Valine + H 2 O and DL-Methionine + H 2 O were measured experimentally. The feasibility of VLE data is studied by using NRTL-Xu model, and the parameters of these systems were given. Furthermore, the Fourier Transform Infrared (FTIR) spectroscopy technique was used to study the microscopic properties of the amino acid solutions. Finally, the total mean interaction energy of water in the systems was studied by COSMOthermX. The results show that the vapor pressure increases with increasing temperature in the system, the vapor pressure of the higher solubility system is lower than the low solubility system and the pure solvent. From the FTIR results, it can be seen that the greater the solubility of amino acids in water, the stronger the hydrogen bond interaction with water. Meanwhile, the results of COSMOthermX show that the total mean interaction energy in the systems is least affected by the concentration. The structure–activity relationship between macroscopic properties (VLE) and microscopic interactions (hydrogen bonds) was established.
研究领域:
化学工程
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光谱学
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计算化学
✓ 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）