CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2019
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IF 1.911
Jie Li,Zhijian Peng,Chunshan Li,Ping Li,Rafiqul Gani
In this work, a techno-economic study for the solvent based extraction of methacrylic acid from an aqueous solution is presented. The involved phase equilibrium calculations in process design are verified by measured experimental data. First, experiments are conducted with different solvent candidates to measure LLE (liquid–liquid equilibrium) data and to establish the effects of extraction temperature and dosage of solvent. Next, the binary interaction parameters for the UNIQUAC model to be used for equilibrium calculations are fine-tuned with measured data. Then, a process for the solvent based extraction of methacrylic acid recovery is designed and verified through simulation with the regressed UNIQUAC model parameters. The optimal configuration of the process flowsheet is determined by minimizing the total annualized cost. Among the three solvent candidates considered-cyclohexane, hexane and toluene-the highest efficiency and the lowest total annualized cost is found with toluene as the solvent.
研究领域:
化学工程
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工艺经济分析
✓ 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
Huanhuan Sun,Cheng Liu,Zhongfeng Geng,Yang Lu,Yixuan Chen
In this article, isobaric vapor–liquid equilibrium (VLE) data for three binary systems of acetaldehyde + ethanol, acetaldehyde + ethyl acetate, and acetaldehyde +1-butanol were determined using a modified Rose–Williams equilibrium still at 101.3 kPa. The experimental data were confirmed by the area method of Herington and point-to-point method of Van Ness. Activity coefficient models, Wilson, NRTL, and UNIQUAC were employed to correlate the experimental VLE values. Both models showed a good agreement and the binary interaction parameters were estimated.
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 THERMODYNAMICS
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2016
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IF 2.196
Cui Wang,Yao Chen,Kai Cheng,Caiyu Wen
(Liquid + liquid) equilibrium (LLE) for the ternary systems of {water + acetone + diethyl carbonate (DEC)} and (water + 2-butanone + DEC) were determined at T = (293.15, 298.15, 303.15, 313.15) K and p = 100 kPa. The reliability of the experimental LLE was verified by the Othmer-Tobias and Bachman equations. The experimental LLE values were correlated with the modified and extended UNIQUAC models. Distribution coefficients and separation factors were calculated from the LLE data to evaluate the extraction capability of the organic solvents.
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
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Mai Han,Yuanyuan Han,Houchun Yan,Huanhuan Gui,Weizhen Sun,Qingsong Li
2,2,2-trifluoroethanol (TFE) is used more and more widely in industry, but there are few reports on its separation at present. The purpose of this work is to explore the feasibility of separating 2,2,2-trifluoroethanol from aqueous solution using different extractants, as isopentanol, 2-Ethyl-1-hexanol, n-Propyl acetate, and dichloromethane. The liquid–liquid equilibrium data of TFE + water +{isopentanol or 2-ethyl-1-hexanol or n-propyl acetate or dichloromethane} at standard pressure and 303.2 K were measured. The estimated partition coefficient ( D ) and separation factor ( S ) of TFE are higher than 1. Meanwhile, Othmer-Tobias and Hand's empirical equations verified the experimental data's consistency, and the squares of its linear correlation are all greater than 0.99. The NRTL and UNIQUAC activity coefficient models were used to correlate the experimental data, and different model parameters were obtained by regression. After comparing the calculated values of the model with the experimental data, it was found that the root means square deviation ( RMSD% ) was less than 0.34%, which indicate that both models have a reasonable correlation with the experimental data of the ternary system and can accurately predict the experimental data.
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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2024
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IF 2
Mai Han,Yujie Zhen,Fangyu Zhang,Anle Zhang,Jiajun Wei,Wei Wang,Zhiwei Zhang,Wenxue Lu,Tao Li,Qingsong Li
The development and research of biomass fuels have been paid more and more attention. The production of methacrylic acid is accompanied by a large amount of water and environmental pollution. Therefore, the separation of methacrylic acid from aqueous solution is of great significance for industrial production and environmental protection. The liquid–liquid equilibrium (LLE) for ternary systems of water + methacrylic acid + alcohol solvents at 303.2 K and 101.3 kPa was investigated. Thermodynamic models (NRTL and UNIQUAC) were used to correlate and regress the experimental data. The root-mean-square deviation (RMSD %) was used to evaluate the deviation between the experimental value and the calculated value, which were 1 and 1, respectively, indicating that the extractants selected in the experiment could well separate methacrylic acid from the aqueous solution, and 1-octanol exhibits better extraction performance. The correlation of LLE data is proven by MATLAB. In addition, the binary interactive parameters of the model regression are verified by MATLAB.
研究领域:
化学工程
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
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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
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热力学
✓ 已验证
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
Chunhao Guo,Yang Tang,Jinru Wan,Yue Zuo,Yong Wang,Yichang Wang,Xunqiu Wang
The isobaric vapour–liquid equilibrium (VLE) data for the binary system of cyclohexanol + cyclohexylbenzene were determined at (5, 10, 15, 20 and 25) kPa with a dynamic recirculating apparatus and the temperature ranged from 358.10 K to 456.43 K, and the thermodynamic consistency of the experimental data was checked by the Herington area method and Van Ness method. Afterwards, the experimental data was correlated with NRTL, Wilson and UNIQUAC model, and the corresponding interaction of thermodynamic models of the binary system parameters were obtained through the Aspen software. The results indicated that all three models represent the experimental values quite well, while the NRTL model provided a slightly better result than Wilson model and UNIQUAC model. The maximum root mean square deviation of the temperature and vapour phase mole fraction for the NRTL model was less than 0.4 K and 0.004, 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 MOLECULAR LIQUIDS
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2020
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IF 5.065
Bing Jia,Xiaobo Jiang,Xiubin Chen,Shihua Dong
Liquid-liquid equilibrium (LLE) data for water + epichlorohydrin + {chloroform or isopropyl ether or methyl tert-butyl ether or isopropyl acetate or ethylacetate or 2-ethyl-1-hexanol} systems at 308.2 K under 101.3 kPa were determined. The distribution coefficient and the separation factor were used to judge the extraction efficiency of different solvents on epichlorohydrin removal from water. The Othmer-Tobias, Hand, and Bachman equations were applied to check the reliability of the experimental LLE data. Furthermore, the experimental LLE data were successfully correlated with the NRTL and UNIQUAC models with all the RMSD values were less than 0.57%.
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
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Hongyue Guo,Tianyi Cao,Yicong Zhao,Haigang Liu,Jun Li,Qingsong Li
To separate cyclohexanone and water in the azeotropic system using liquid–liquid extraction, the liquid–liquid equilibrium (LLE) data of water + cyclohexanone + solvents (n-propyl acetate, methyl acetate) were obtained at 298.2, 303.2, and 313.2 K under 101.3 kPa. The extractant ability of the extractant was evaluated by distribution coefficient (D) and selectivity factor (S). The NRTL and UNIQUAC were used to correlate the experimental data with relative root mean square deviation (RMSD) are all less than 0.77%. It shows that the two models are suitable for the system. Finally, a graphical user interface (GUI) was used to verify that the regression parameters have a good consistency.
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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2018
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IF 2.196
Liping Wang,Saisai Zhou,Pan Li,Pengzhou Li,Qingsong Li,Yingmin Yu
Polyoxymethylene dimethyl ethers (DMMn) have attracted particular attention in industry as excellent oxygenated fuel additives. This study aims to reveal the liquid–liquid equilibrium (LLE) values regarding ternary mixtures {water + methylal (DMM1) + 4-methyl-2-pentanol (MIBC)}, {water + DMM2 + MIBC}, {water + DMM3 + MIBC}, and {water + DMM4 + MIBC} at 298.2 and 308.2 K under 101.3 kPa. Distribution factor and selectivity were utilized to assess the extracting capabilities of the selected extractant. The well known Hand equation and Othmer–Tobias equation were utilized to test the consistency of the LLE values. In addition, the experimental results were correlated by the UNIQUAC and NRTL thermodynamic models with all of the root-mean-square deviation values less than 0.0127,which indicated that both models agree well with the experimental tie-line 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 THERMODYNAMICS
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2022
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IF 3.269
Song Lin,Houchun Yan,Yueyang Jiang,Hongyue Guo,Yicong Zhao,Mai Han,Qingsong Li
The liquid–liquid equilibrium (LLE) data of water, 2,2,2-trifluoroethanol (TFE) and different solvents {1-hexanol, 1-pentanol, 1-octanol and 2-octyl alcohol} were measured at 303.2 K under 101.3 kPa. The distribution coefficient (D) and selectivity factor (S) were calculated, and the results showed that the four extractants had good separation effects. The experimental data were successfully correlated by the two thermodynamic models of NRTL and UNIQUAC. In addition, the binary interaction parameters were obtained. The root mean square deviation (RMSD) of the fitting results were all less than 0.6%. The GUI-MATLAB was used to verify the consistency of the binary interaction parameters calculated by the thermodynamic models.
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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2019
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IF 2.298
Chaochen Du,Zhiping Du,Bingwen Long,Hongmei Du,Zhiguo Yan,Xia Yin
Carbonate esters and esters are widely used in the pharmaceutical industry. It is important to enrich the vapor–liquid equilibrium (VLE) database of these components. In this article, the isobaric VLE data of three binary mixtures diethyl carbonate (DEC) + methyl acetate, DEC + n-propyl acetate, and DEC + amyl acetate at 100.17 kPa were obtained. The experimental data were tested using the Van Ness consistency test, which indicated that the experimental data satisfy the test for thermodynamic consistency. The activity coefficient models Wilson, NRTL, and UNIQUAC were used to correlate the experimental VLE values to obtain the interaction parameters. The results associated with the three models are in good agreement with the experimental data. The minimum average absolute deviation values of vapor-phase compositions and temperatures for all are 0.0010 and 0.15 K, and no azeotropic behavior was observed in these systems. In addition, the group contribution method was used to fit the group parameters of the vapor–liquid equilibrium 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
危险品化学品经营许可证（带存储）