JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Jingwei Cao,Hongyue Guo,Qingsong Li
Ternary liquid–liquid phase equilibrium (LLE) data of water + 3-pentanone + extractants (methyl tert-butyl ether, 2-ethyl-1-hexanol, o-xylene, ethyl acetate) were measured to separate 3-pentanone of high purity from aqueous solutions at 308.2 K under 101.3 kPa. The ability to extract 3-pentanone from aqueous solutions was assessed by distribution coefficient (D) and separation factor (S). Hand and Bachman equations tested the reliability of the experimental data with linear coefficients (R2) not less than 0.99. Meanwhile, UNIQUAC and NRTL thermodynamic models regressed experimentally measured data to get the optimal binary interaction parameters, and the root mean square deviation (RMSD) was not more than 0.4%. The GUI-MATLAB program verified the consistency of binary parameters obtained from the NRTL model well.
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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2017
·
IF 2.726
Bing Jia,Kun Xin,Tengfei Yang,Jisheng Yu,Yingmin Yu,Qingsong Li
Liquid-liquid equilibrium (LLE) data for the diethoxymethane + ethanol + solvents (ethylene glycol, 1,3-propanediol, 1,4-butanediol or formamide) ternary systems were determined at 309.15 K and at 101.3 kPa. Distribution coefficients and separation factors were calculated to evaluate the effectiveness of extracting ethanol from diethoxymethane. The reliability of the LLE data were verified by the Othmer-Tobias and Hand equations. The thermodynamic NRTL and UNIQUAC models were successfully applied to correlate the experimental LLE data of the studied systems and the results indicate that the NRTL model gives a better agreement.
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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2024
·
IF 2
Yutong Zhang,Yinge Bai,Mengjun Wang,Shaojuan Zeng,Wei Han,Xiangping Zhang
Ionic liquids (ILs) show great potential for the treatment of dichloromethane (DCM)-containing waste gases, but currently there are limited data on the vapor–liquid equilibrium (VLE) of DCM + IL systems. This work uses headspace gas chromatography (HS-GC) to determine the isothermal VLE data of the DCM + [Epy][EtSO4] and DCM + [Emim][EtSO4] systems at 308.15 K, 313.15 K, 318.15 K, 323.15 K, and 328.15 K. The nonrandom two-liquid (NRTL) and universal quasi-chemical correlation activity coefficient (UNIQUAC) models are used to regress the VLE data. The results show that the fitting average relative deviations (ARDs) of the DCM + [Epy][EtSO4] and DCM + [Emim][EtSO4] systems to the NRTL model were 6.97% and 7.95% and the fitting ARDs to the UNIQUAC model were 6.10% and 6.28%, respectively. The fitting effects of the UNIQUAC models for both systems were better than those of the NRTL model. With the models, the calculated activity coefficients of DCM were all less than 1, indicating that the solutions exhibited negative deviations from Raoult’s law, and the nonideality of the solutions increased with increasing IL concentration.
研究领域:
化学工程
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环境科学
✓ 已验证
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2010
·Vol. 293
·期 1
·73-78
·
IF 1.857
Song Hu,Qing-lin Chen,Bing-jian Zhang,Yuan-lan Liang,Xue-nong Gao
Experimental liquid–liquid equilibrium (LLE) of the water–acetic acid–sec-butyl acetate ternary system was investigated at 298.15, 303.15, 308.15 and 313.15 K and at atmospheric pressure. Separation factors were also evaluated for the immiscibility region. The NRTL and UNIQUAC models were applied to fit the experimental data for the ternary system . The binary interaction parameters obtained from both models were found to be successfully correlated with the equilibrium compositions . The UNIFAC group contribution method was employed to predict the observed ternary LLE data. It was found that four types of the UNIFAC model (UNIFAC, UNIFAC-LL, UNIFAC-DMD, and UNIFAC-LBY) did not provide a good prediction of the LLE data for this ternary system .
研究领域:
化学工程
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热力学
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分离科学
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过程工程
✓ 已验证
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2019
·
IF 5.107
Yuhao Zhang,Hui Wang,Liang Zhao,Jinsen Gao,Chunming Xu
The performance of dimethyl sulfoxide (DMSO) solvent in separating olefins from aromatics and thiophene sulfides was evaluated through a series of ternary liquid-liquid equilibrium (LLE) experiments at 101.325 kPa and 303.15 K. The influences of the structures of olefins, aromatics, and thiophene sulfides on the separation efficiency were analyzed. Normal 1-hexene and isomer 2,4,4-trimethyl-1-pentene were easily separated from aromatics or thiophene sulfides, which only contain aromatic ring structures, such as benzene and thiophene. The reason is that the induced dipole on the aromatic ring structure introduced by the DMSO solvent significantly improved the polarity of aromatics and thiophene sulfide molecules, thereby enhancing the interaction with the ring structure. In addition, olefins were easier to separate from thiophene sulfides than from aromatics. The olefin separation factor of separating 2,4,4-trimethyl-1-pentene from thiophene was three times greater than that of separating the same olefin from benzene. The binary parameters between DMSO and olefins, aromatics, and thiophene sulfides for NRTL and UNIQUAC models were obtained through ternary LLE experiments. The maximum value of the root-mean-square deviation of the simulated compositions of phases compared with experimental data was 0.0052 in the two adopted models. Hence, the regressed binary parameters could efficiently describe the experimental LLE process. On the basis of the obtained binary parameters, the NRTL and UNIQUAC models are suitable for predicting the performance of olefin separation from fluid catalytic cracking naphtha. However, the NRTL model is more precise than the UNIQUAC model.
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
Catalysts
·
2024
·Vol. 14
·期 5
·320
·
IF 3.8
Lingmei Yang,Shiyou Xing,Xianbin Teng,Rukuan Liu,Zhongming Wang,Baining Lin,Pengmei Lv,Akram Ali Nasser Mansoor Al-Haimi,Fatma Yehia,Wen Luo
Having a comprehensive knowledge of phase equilibrium is advantageous for industrial simulation and design of chemical processes. For further acquisition of primary data to facilitate the separation and purification of waste oil biodiesel systems, a liquid–liquid equilibrium (LLE) tank is deployed for the ternary system of waste oil biodiesel + methanol + glycerin, thereby enhancing the precision and efficiency of the process. The phase equilibrium system was constructed under the influence of atmospheric pressure at precise temperatures of 303.15 K, 313.15 K, and 323.15 K. The equilibrium components of each substance were analyzed by employing high-temperature gas chromatography, a sophisticated analytical method that enables the identification and quantification of individual components of a sample. Moreover, the ternary liquid–liquid equilibrium data were correlated by implementing the NRTL and UNIQUAC activity coefficient models. Subsequently, the binary interaction parameters of the ternary system were derived by conducting regression analysis. The experimental data demonstrated that the presence of lower methanol content in the system resulted in nearly immiscible biodiesel and glycerol phases, which ultimately facilitated the separation of biodiesel and glycerol. Conversely, with the increase in methanol content, the mutual solubility of biodiesel and glycerol was observed to increase gradually. The results showed that the calculated values of the NRTL and UNIQUAC models aligned well with the experimental values. The root-mean-square deviations of the NRTL and UNIQUAC models at 313.15 K were 2.76% and 3.56%, 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
Shenfeng Yuan,Shengqiao Li,Hong Yin,Zhirong Chen
The experimental liquid–liquid equilibrium (LLE) data of the quaternary systems ethanol + hexanol + decane + water, ethanol + hexanol + undecane + water, ethanol + heptanol + decane + water, and ethanol + heptanol + undecane + water were collected at 298.15 K under atmospheric pressure. The UNIQUAC model was used to regress the quaternary systems and acquire the binary interaction parameter, which was used to predict the LLE data of the six-component system. The predicted LLE data were compared with the experimental data, and the results showed they were in good agreement, which indicated that the binary interaction parameters acquired from the quaternary systems could predict the LLE data of the six-component system. The distribution coefficient and the selectivity showed that 65% ethanol aqueous solution was suitable for separating hexanol and heptanol from the hexanol–heptanol–decane–undecane mixture.
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 AND ENGINEERING DATA
·
2023
·
IF 2.6
Xuejuan Wei,Xiaopeng Chen,Linlin Wang,Xiaojie Wei,Jiaqi Liang,Zehui Xiong,Jiezhen Liang
For the isolation and purification of (−)-α-pinene and (−)-limonene from pine resin tapping by spraying ethephon solution on the cutting surface of pine tree, vapor–liquid equilibrium data for (−)-α-pinene and (−)-limonene with ethephon are indispensable. In this work, the isothermal vapor–liquid equilibria of binary system (−)-α-pinene + (−)-limonene and quaternary system (−)-α-pinene + (−)-limonene + water + ethephon were determined using headspace gas chromatography. The thermodynamic consistency of the experimental data was tested by the Van Ness point test and Redlich-Kister area test. The universal quasi-chemical (UNIQUAC) and nonrandom two-liquid (NRTL) models were applied to correlate the experimental data, and the absolute mean deviation of the vapor phase mole fraction and the relative mean deviation of the total system pressure were calculated. The results showed that the UNIQUAC model correlated the system more accurately than the NRTL model. The relative volatility of (−)-α-pinene to (−)-limonene was promoted by adding ethephon solution. In addition, the binding energies of (−)-α-pinene + water + ethephon and (−)-limonene + water + ethephon were calculated by DFT. The results showed that the intermolecular interaction between ethephon solutions with (−)-limonene was greater than that with (−)-α-pinene.
研究领域:
化学工程
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植物化学
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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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2017
·
IF 3.648
Bing Jia,Kun Xin,Liping Wang,Yingmin Yu,Qingsong Li
Liquid-liquid equilibrium (LLE) data for the diethoxymethane + ethanol + water ternary system has been studied at 298.2, 308.2 and 318.2 K at 101.3 kPa. The efficiency of water to extract ethanol from diethoxymethane was assessed by the distribution coefficients and separation factors. The reliability of the experimental LLE data was verified with the Othmer-Tobias and Hand equations. The thermodynamic NRTL and UNIQUAC models were successfully applied to correlate the experimental LLE data of the studied systems with all the RMSD% values were less 0.6 and the values for binary interaction parameters were obtained. Water was proven to be very promising in extracting ethanol from diethoxymethane solution.
研究领域:
化学工程
·
热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2013
·
IF 2.297
Jun Zeng,Yao Chen,Xiaoming Zhou,Caiyu Wen
(Liquid + liquid) equilibria data of the (water + 1-propanol + dimethyl carbonate) system at T = (293.15, 303.15, 308.15, and 313.15) K and (water + 1-propanol + diethyl carbonate) system at T = (293.15, 298.15, 303.15, 308.15, and 313.15) K were measured under ambient pressure. The experimental results were correlated with the modified and extended UNIQUAC models. The reliability of the experimental tie-line data was tested through the Othmer–Tobias correlation equation. Distribution coefficients of dimethyl carbonate and diethyl carbonate were calculated from the experimental tie-line data and drawn. The temperature influence on liquid-phase equilibria was studied.
研究领域:
化学工程
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Wenyang Fan,Houchun Yan,Huiwen Huang,Yixin Ma,Jun Gao,Dongmei Xu,Yinglong Wang
For separating the special phenolic compound 2,6-xylenol from the model coal tar, the liquid–liquid equilibrium data regarding the four mixtures (toluene + 2,6-xylenol + glycerol/ethylene glycol/1,4-butanediol/1,3-propanediol) were measured at 303.15 K under pressure 0.1 MPa. The separation performance of the selected solvents was assessed by distribution coefficient (D) and separation factor (S). The experimental and calculated results showed that glycerol and ethylene glycol were suitable solvents. Meanwhile, the reliability of the measured data was checked by the Hand and Othmer–Tobias methods. In addition, the NRTL and UNIQUAC thermodynamic models were adopted to correlate the experimental data with the calculated values of root-mean-square deviation (RMSD) and absolute average relative deviation (AARD) lower than 0.01. The consistency of the regressed binary interaction parameters was verified using a tool GUI-MATLAB.
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 CHEMICAL AND ENGINEERING DATA
·
2017
·
IF 2.323
Midong Shi,Gaoyin He,Fan Gan,Xuemin Yu,Qingsong Li
In order to reduce the energy consumption of distillation and decomposition of methylal in water, the experimental liquid–liquid equilibria (LLE) data of water + methylal + cyclohexane and water + methylal + n-heptane systems were measured in this work at different temperatures: 303.15 and 313.15 K under atmospheric pressure. The reliability of the tie-line data obtained by this present work was determined using the Othmer–Tobias and Hand equations. Moreover, the LLE data were correlated by nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models with good results in both systems.
研究领域:
化学工程
·
分离技术
✓ 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）