INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2019
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IF 3.375
Xingang Li,Rui Wang,Yutao Yan,Runnan Zhao,Hong Li,Xin Gao
EG is an important industrial raw material, and the hydrolysis of 2-ethyl-1,3-dioxolane (2ED) to re-obtain EG is a very important step to recover EG from an EG and 1,2-BDO azeotropic mixture via a reversible-reaction-assisted intensification process. The applicability of reactive distillation for 2ED hydrolysis in the presence of KRD-002 ion exchange is studied by experiments and simulations. The reaction kinetics were investigated, and the kinetic parameters were derived. Thermodynamic aspects of the reaction system were discussed, and the NRTL model was built. Pilot-plant reactive distillation experiments were performed using the structured catalytic packing unit (SCPI) with several operating condition variations (reflux ratio (RR), feed mole ratio (FMR), and feed-in style). The experimental results are in good agreement with the simulation results, which prove that the equilibrium stage model can describe the hydrolysis experiments quantitatively. The simulation was subsequently used to determine the influence of important design factors and laid the foundation for industrial application.
研究领域:
化学工程
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工业催化
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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
Jiahai Ding,Wei Guan,Leiyu Zhang,Xiudong Zhang,Chundong Zhang,Lei Wang,Hui Wan,Guofeng Guan
Isobaric binary vapor–liquid equilibrium (VLE) data for ethylbenzene + ethyl benzoate, o-xylene + ethyl benzoate, m-xylene + ethyl benzoate, and p-xylene + ethyl benzoate, as well as the quinary VLE data for ethyl benzoate + o-xylene + m-xylene + p-xylene + ethylbenzene, were measured at 101.33 kPa using a modified Rose still. The thermodynamic consistency test was implemented by using the Herington method. Moreover, the VLE data for ethyl benzoate + o-xylene, ethyl benzoate + m-xylene, ethyl benzoate + p-xylene, and ethyl benzoate + ethylbenzene were correlated using the nonrandom two-liquid (NRTL) and universal quasichemical activity coefficient (UNIQUAC) models using the nonlinear least-square method. The obtained NRTL and UNIQUAC model parameters of the binary systems were utilized to predict the VLE data for the quinary system. It was shown that all the models showed a relatively small deviation from the experimental results, and the quinary predicted values obtained in this way agreed well with the experimental values, indicating that the experimental data were suitable for designing the extractive distillation process of ethyl benzoate with ethylbenzene and xylene isomers.
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 AND ENGINEERING DATA
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2024
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IF 2
Danru Xu,Bowen Tan,Hui Shi,Miaoli Hao,Yulei Guan,Jingjun Liu
Glycerol carbonate prepared by transesterification is a value-added glycerol derivative that can be used as a solvent, electrolyte, and polymer monomer. Due to the high boiling points of glycerol and glycerol carbonate, their separation by distillation is energy-intensive. To evaluate the feasibility of extractive separation of glycerol carbonate with glycerol, ethyl acetate and 2-butanone + benzene mixture were selected as the extractants, and the corresponding liquid–liquid equilibrium data were measured at 303.2, 313.2, and 323.2 K under atmospheric pressure. While ethyl acetate provided high extractive selectivity, the distribution coefficient of glycerol carbonate in it was less than one. The 2-butanone + benzene mixture with suitable ratios resulted in more feasible and balanced distribution coefficients and selectivities. The NRTL model was used to correlate the equilibrium data to estimate the interaction parameters, and the quality of the obtained parameters was validated. The NRTL model with the regressed parameters can reproduce the phase equilibrium trend of all of the studied systems.
研究领域:
化学工程
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分离技术
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产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
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IF 2
Zhen Chen,ZhanKun Jiang,Jinyi Chen,Ping Lu,Chao Hua,Qing Yuan
The vapor–liquid equilibrium (VLE) data for decamethyltetrasiloxane (MD2M) and dodecamethylpentasiloxane (MD3M) are pivotal for efficient distillation separation process in the silicone industry. The isobaric VLE data for the binary system of MD2M + MD3M were determined at 11.0, 50.0, and 101.3 kPa using a modified Othmer still. The experimental data satisfied thermodynamic consistency tests, including Herington’s method and the Van Ness criterion. The VLE data were fitted using the NRTL, UNIQUAC, and Wilson activity coefficient models. The results show that the UNIQUAC model performs slightly better than the other models. The VLE data and model parameters reported here are essential for the design and simulation of separation processes for MD2M and MD3M, contributing valuable insights for industrial-scale operations.
研究领域:
化学工程
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材料科学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2020
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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
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药物结晶工艺
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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
Ye Li,Lei Zhong,Weisong Li,Long Zhang,Xubin Zhang,Chunjian Xu,Wangfeng Cai
The isobaric vapor–liquid equilibrium (VLE) data for nine binary systems of cracking C5 fraction including n-pentane + cyclopentane, n-pentane + cyclopentene, isopentane + 2-methyl-2-butene, isopentane + cyclopentene, cyclopentane + 2-methyl-2-butene, cyclopentane + cyclopentene, cyclopentane + isoprene, isoprene + 2-methyl-2-butene, isoprene + cyclopentene at 250 kPa have been measured using a VLE recirculating still. All of the experimental data were checked with the Herington thermodynamic consistency test, which showed thermodynamic consistency. The experimental VLE data were correlated with the Wilson, nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) activity coefficient models. The results show that the calculated values of the vapor-phase mole fraction and boiling temperature by the Wilson, NRTL, and UNIQUAC models agree well with the experimental data. The ideal liquid model was also used to compare with experimental data, which showed a few small differences which indicated the small deviations of these systems from the ideal liquid. The universal quasichemical functional group activity coefficients (UNIFAC) model was also used to predict the VLE data for these systems, which agree well with the experimental data, except cyclopentane + isoprene system which shows a little bigger deviation.
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 AND ENGINEERING DATA
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2021
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IF 2.694
Zenghui Wang,Wenyang Fan,Dongmei Xu,Shanshan He,Huiwen Huang,Jun Gao,Yinglong Wang
Clean utilization of catalytically cracked diesel is of paramount importance in the industry. The separation of polycyclic aromatic hydrocarbons (PAHs) from catalytically cracked diesel can significantly reduce the content of aromatics and increase the cetane number to improve the quality of diesel. In this work, for extracting the PAH 1-methylnaphthalene from the model fluid catalytic cracking diesel, the liquid–liquid equilibrium phase behavior for the quaternary systems (n-decane + 1-tetradecene + 1-methylnaphthalene + sulfolane/dimethyl sulfoxide) were explored at 303.15, 323.15, and 343.15 K under 0.1 MPa. The separation performance was characterized by the separation factor and distribution coefficient. The results showed that sulfolane was a suitable extractant compared to DMSO. The reliability of the measured phase equilibrium data was evaluated by the Hand and Othmer–Tobias equations. The UNIQUAC and NRTL models were applied to fit the tie-line data of the investigated mixtures with the AARD and rmsd lower than 0.01. The intermolecular interaction was explored by the σ-profile analysis to compare the separation performance of sulfolane and DMSO.
研究领域:
化学工程
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分离科学
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石油加工
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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
Xiaona Li,Dandan Han,Yan Wang,Shichao Du,Yumin Liu,Jiaqi Zhang,Bo Yu,Baohong Hou,Junbo Gong
Data on (solid + liquid) equilibrium of thiamine hydrochloride hemihydrate (HH) in {water + (ethanol, acetone, or 2-propanol)} solvents will provide essential support for industrial design and further theoretical studies. In this study the solid–liquid equilibrium (SLE) was experimentally measured over temperatures ranging from 278.15 to 313.15 K under atmospheric pressure by a dynamic method. For the temperature range investigated, the equilibrium solubility of thiamine hydrochloride hemihydrate (HH) varies with temperature and the composition of the solvents. The experimental solubility was regressed with different models including the modified Apelblat equation, λh equation, as well as NRTL equation. All the models gave good agreements with the experimental results. On the basis of the solubility data of HH, the thermodynamic properties of mixing process of HH with mixed solvents were also discussed. The results indicate that the mixing process of HH is exothermic. Besides, the model outwardly like the Arrhenius equation was employed to quantitatively exhibit the relationship between solubility and solvents mixtures polarity of solvents mixtures.
研究领域:
药物化学
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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 THERMODYNAMICS
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2016
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IF 2.196
Li Wan,Hengde Li,Cheng Huang,Yuqing Feng,Guoqiang Chu,Yuying Zheng,Wei Tan,Yanlin Qin,Dalei Sun,Yanxiong Fang
Linalool and geraniol are the primary components of rose oil, palmarosa oil, and citronella oil and many other essential oils, and two important compounds used in the flavour and fragrance, cosmetic or pharmaceutical industries. Phase equilibria (LLE, VLE, solubility, etc. ) and related thermodynamic properties of a mixture are essential in the processes design and control of mass transfer process. In this work, experimental (liquid + liquid) equilibria data of the systems (water + 1-propanl + linalool) and (water + 1-propanl + geraniol) are presented. The (liquid + liquid) equilibria of both systems were determined with a tie-line method at T = (283.15, 298.15 and 313.15) K under atmospheric pressure. The well-known Hand, Bachman and Othmer–Tobias equations were used to test the reliability of the experimental values. The influence of the temperature on the (liquid + liquid) phase equilibria of the mixtures, the binodal curves and distribution ratios of 1-propanl are shown and discussed. Moreover, the NRTL and UNIQUAC models were applied to fit the data for both ternary systems. The interaction parameters obtained from both models successfully correlated the equilibrium compositions. Furthermore, the ternary systems could be represented using the binary parameters of the thermodynamic model with a function of temperature.
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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2020
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IF 2.888
Xingchuan Yang,Xiangmeng Chen,Chunmei Cao,Li Xu,Guoji Liu
Solubility and liquid–liquid equilibria data for ternary systems for (water + 1,6-hexanediol + 1-butanol/2-methyl-1-propanol) were obtained at (293.15–323.15) K under atmospheric pressure. The LLE data were determined using a double-jacketed glass vessel, and the solubility curves were acquired by the cloud-point method. The distribution coefficient and separation factors were calculated and the reliability of experimental data was assessed by the Othmer–Tobias equation and Hand equation. The measured LLE data were fitted by NRTL and UNIQUAC models and binary parameters were obtained by using of Aspen Plus software. The calculated root-mean-square deviation values show that the calculated results from models showed good agreement with experimental data.
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 AND ENGINEERING DATA
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2022
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IF 3.119
Yingmin Yu,Fangyu Zhang,Xiaocheng Zhang
The liquid–liquid equilibrium (LLE) data for the ternary systems of {n-octanol + ethylene glycol + solvents (water/n-heptane/n-hexane/1-hexene/1-chlorobutane)} at 298.2 K under 101.3 kPa were determined. The solute distribution constant and selectivity were used to analyze the solvent’s extraction ability. Meanwhile, the NRTL and UNIQUAC models were applied to correlate the experimental LLE data, and the binary interaction parameters were obtained. The root mean square deviation (RMSD) between the experimental data measured and the calculated by the NRTL and UNIQUAC models was less than 3%. The binary interaction parameters have been confirmed by GUI-MATLAB.
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
Xingchuan Yang,Genlei Wei,Xiangmeng Chen,Li Xu,Guoji Liu
Liquid–liquid equilibria (LLE) data for esters + diols + water ternary systems were measured at 101.3 kPa at four different temperatures, namely, 293.15, 303.15, 313.15, and 323.15 K. The Othmer–Tobias equation and the Hand equation were applied to examine the reliability of the LLE data in which both regression coefficients were higher than 0.98. The calculated distribution coefficients and separation factors were larger than 1, which means that it is feasible to extract the diols from the corresponding ester with water. In addition, NRTL and UNIQUAC models were applied to correlate the experimental data, and the binary interaction parameters were obtained. The calculated root-mean-square deviation values show that both 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
✓ 已验证
DOI
高影响因子
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