JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2014
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IF 2.045
Xing Gong,Qinbo Wang,Fuqiong Lei,Binwei Shen
Liquid–liquid equilibrium (LLE) data of the ternary system water + cyclohexanol + cyclohexanone was measured from (303.2 to 333.2) K. The reliability of the experimental tie-line data was confirmed by applying the Othmer–Tobias and the Bachman equations. The equilibrium data were correlated with the nonrandom two-liquid (NRTL) and universal quasichemical activity coefficient (UNIQUAC) models. The calculated LLE data for the ternary system agreed well with the experimental data. The root-mean-square deviations (rmsd’s) obtained comparing calculated and experimental two-phase compositions are 0.46 % for the NRTL model and 0.44 % for the UNIQUAC model. The obtained interaction parameters can be used in the calculation of LLE for the ternary system water + cyclohexanol + cyclohexanone as well as for the design, simulation, and optimization of the related separation process.
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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过程设计与优化
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2016
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IF 1.835
Jiahai Ding,Wei Guan,Ping Wan,Lei Wang,Hui Wan,Guofeng Guan
Isobaric binary vapor–liquid equilibrium (VLE) data for diethyl carbonate with ethylbenzene and xylene isomers are measured at 101.33 kPa by using a modified Rose still. The binary VLE data are tested to be thermodynamically consistent by the Herington method and the point-to-point test of the Fredenslund method. Taking account of the nonideality of the vapor phase, the activity coefficients of the components are calculated. All systems present a positive deviation from ideality. The experimental VLE data are well correlated by the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson equations. The calculated vapor-phase compositions and temperature agree well with the experimental values. These experimental data can provide basic thermodynamic data for practical application in developing the distillation simulation of diethyl carbonate with ethylbenzene and xylene isomers.
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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物理化学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2014
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IF 2.045
Jun-su Jin,Yi-wei Wang,Hai-fei Zhang,Xing Fan,Hao Wu
The operating conditions of measuring the equilibrium solubility of 4-hydroxybenzaldehyde in supercritical carbon dioxide (SCCO2) were chosen at temperatures of (308, 318, and 328) K and five pressure points from (11.0 to 21.0) MPa, while the solubility data in SCCO2 with three different cosolvents (ethanol, ethyl acetate, and acetone) at 0.04 (mol·mol–1) were obtained at 318 K and the aforementioned pressure. The solubility of 4-hydroxybenzaldehyde revealed that the presence of cosolvents could greatly improve the dissolving ability of solvent. The solubilities of solutes with five kinds of functional groups substituted for the formyl group (−CHO) of 4-hydroxybenzaldehyde have been investigated on the aspects of melting point and intermolecular force. The data of 4-hydroxybenzaldehyde in pure SCCO2 were successfully correlated with three semiempirical models (Chrastil, Méndez-Santiago, and Teja (M-S-T) and Bartle models) for a deviation of (6.82 to 8.50) %, while the data with cosolvents were calculated by three different models (modified Chrastil, modified M-S-T, and Sovova models) for a deviation of (2.98 to 8.87) %. The thermodynamic properties of 4-hydroxybenzaldehyde were investigated.
研究领域:
化学工程
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超临界流体技术
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热力学
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分离过程
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物理化学
✓ 已验证
DOI
高影响因子
ACS Omega
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2021
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IF 3.512
Shanshan He,Wenyang Fan,Huiwen Huang,Jun Gao,Dongmei Xu,Yixin Ma,Lianzheng Zhang,Yinglong Wang
For separating the azeotropic mixture methanol and toluene, an extractive distillation is applied with butyl propanoate, triethylamine, and butyl butanoate as the extractive solvents, which were screened by relative volatility, selectivity, and the x–y curve. The vapor–liquid equilibrium data of the binary and ternary systems for (toluene + butyl propanoate), (toluene + triethylamine), (toluene + butyl butanoate), and (methanol + toluene + butyl butanoate) were determined. The reliability for the experimental vapor–liquid equilibrium (VLE) data was assessed with the van Ness method. The measured data was fitted by the UNIQUAC, Wilson, and NRTL models, and the correlated results were consistent with the determined VLE data. In addition, the COSMO-UNIFAC model was used to predict the VLE data for comparison.
研究领域:
化学工程
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分离过程
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热力学
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过程建模与模拟
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2014
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IF 2.241
Fuqiong Lei,Qinbo Wang,Xing Gong,Ling Li,Quanbing Wu,Wenming Zhang
Liquid–liquid equilibria (LLE) for the ternary system water + acetic acid + cyclohexanone was studied at (293.2–323.2) K and at atmospheric pressure. The immiscibility region was found to be relatively small and not sensitive to the change of temperature. The Othmer–Tobias equation and the Bachman equation were both used to check the reliability of the obtained experimental tie-line data. The experimental results were correlated with both the NRTL and the UNIQUAC activity coefficient models. The calculated results showed good agreement with the experimentally determined ternary LLE data. The root mean square deviations (RMSD) obtained by comparing the calculated and experimental two-phase compositions are 0.72% for the UNIQUAC model and 0.40% for the NRTL model. The obtained interaction parameters can be used in the calculation of LLE for the ternary system water + acetic acid + cyclohexanone as well as for the design and optimization of the related separation process.
研究领域:
化学工程
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热力学
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分离过程
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2014
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IF 2.045
Qi Zhang,Yonghong Hu,Ying Shi,Yang Yang,Limin Cheng,Cuicui Cao,Wenge Yang
Data on corresponding solid–liquid equilibrium of dibenzothiophene (DBT) in different solvents are essential for a preliminary study of industrial applications. In this study, the solubility behavior of DBT in different solvents, such as methanol, ethanol, isopropyl alcohol, butan-1-ol, formic acid, and acetonitrile at temperatures ranging from (278.15 to 328.15) K was investigated. An analytical stirred-flask method was employed to measure the dissolubility of DBT. For the temperature range investigated, the solubility of dibenzothiophene in the solvents increased with increasing temperature. The thermodynamic models, such as the Van ‘t Hoff model, the modified Apelblat model and the Buchowski–Ksiazaczak λh model were investigated to describe the experimental data. It was found that the modified Apelblat model was the most suitable for predicting the solubility behavior of DBT with a temperature increment. The calculated thermodynamic parameters indicated that in each studied solvent the dissolution process of DBT is endothermic.
研究领域:
化学热力学
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溶解度工程
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分离过程
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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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2013
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IF 2.004
Guofeng Xue,Hui Wan,Lei Wang,Guofeng Guan
Vapor–liquid equilibrium (VLE) data for binary systems of 2-methyl-1-butanol with ethylbenzene and xylene isomers are isobarically obtained with a modified Rose still at 101.33 kPa, as well as for the quinary system of 2-methyl-1-butanol + ethylbenzene + xylene isomers. The binary VLE data are considered to be thermodynamically consistent according to the Herington method and the point-to-point test. Taking the nonideality of the vapor phase into consideration, the activity coefficients are calculated. All systems show positive deviation from ideality. The VLE data are correlated using the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson models. The calculated vapor-phase compositions and temperature agree well with the experimental values. The obtained model parameters of the binary systems are used to predict the VLE data for the quinary system. The results indicate that these three models allow a good prediction of the phase equilibrium for the quinary system.
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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相平衡
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2014
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IF 2.045
Chao Guo,Shaoyun Chen,Yongchun Zhang,Guangbo Wang
A mixture of 2-(2-aminoethylamine)ethanol (AEEA) with benzyl alcohol (BP) as absorbent was developed to reduce energy consumption in an amine-based CO2 capture process. The solubility of CO2 in the AEEA + BP solution was compared with AEEA + diethylene glycol (DEG), AEEA + triethylene glycol (TEG), and AEEA + H2O. The CO2 loading (mol CO2/kg amine) at the same CO2 partial pressure was in the order AEEA + H2O > AEEA + BP > AEEA + TEG > AEEA + DEG, and CO2 loading of all these solutions increased with increasing vapor pressure of CO2. Besides, the CO2 loading in AEEA + BP solution significantly decreased with increasing reaction temperature. The desorption rate of AEEA + BP solution was about 1.3 times faster than that of aqueous AEEA solution at the same desorption temperature, and AEEA + BP solution needed 30% time less than AEEA + H2O solution to reach reaction end point. The AEEA + BP solution showed stable repeatability in four cycles of absorption–desorption tests.
研究领域:
化学工程
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碳捕集与封存
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温室气体减排
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分离过程
✓ 已验证
DOI
高影响因子
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