JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2019
·
IF 2.298
Wenyang Fan,Houchun Yan,Xin Huang,Zhaohui Liao,Qingsong Li,Zhanhua Ma
The extraction process as a kind of energy-saving and environmental protection technology can be used to separate phenols from low-temperature coal tar. The liquid–liquid equilibrium (LLE) data regarding ternary systems n-heptane + phenols + furfural were determined experimentally at 303.2, 323.2, and 343.2 K under the atmospheric pressure condition, where phenols refer to phenol, p-cresol, and 2,6-xylenol. The solvent extraction capacity was assessed by the solute distribution coefficient and selectivity. Othmer–Tobias and Bachman equations were utilized to validate the consistency of the measured data, which the linear correlation (R2) ≥ 0.99. Experimental LLE data were correlated utilizing the NRTL and UNIQUAC thermodynamic models with all of the RMSD and AARD values below 0.01, meaning that each ternary system is satisfactorily in agreement at temperatures studied and the NRTL model gives better agreement than the UNIQUAC model for ternary systems.
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
·
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
·
2022
·
IF 3.119
Mengyang Guo,Ye Jiang,Yonghong Li,Yanyu Wei,Hanxi Li
The isobaric vapor–liquid equilibria (VLE) of two binary mixtures (adiponitrile + 2-methylglutaronitrile and adiponitrile + trans-3-pentenenitrile) at 5 and 10 kPa were measured using a modified Rose–Williams still. The thermodynamic consistency of the VLE data was tested by the Wisniak method and the Fredenslund method. The isobaric VLE data were correlated with four activity coefficient models of Margules, van Laar, Wilson, and NRTL, and the parameters of the models were obtained by the ordinary least-squares method. The isobaric VLE data were compared with the original UNIFAC predictive model. Furthermore, the excess Gibbs free energy of studied mixtures was determined. The RMST and RMSy1 were determined to evaluate the regression results. The results show that the Wilson model has a better correlation effect than other models.
研究领域:
化学工程
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热力学
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2024
·
IF 3.8
Shuaifeng Liu,Edouard Asselin,Zhibao Li
The disposal of titanogypsum, also known as red gypsum, which is generated during the titanium dioxide sulfate process, has become a significant environmental challenge. We propose a new process to recover iron impurities such as FeCl2·4H2O and to convert titanogypsum to saleable hemihydrate gypsum. For this purpose, we use HCl–FeCl2 solution generated via the reaction of H2SO4–FeSO4 with CaCl2 to leach iron hydroxide from titanogypsum. The hemihydrate precipitation and phase-transition kinetics of the reaction of HCl–H2SO4–FeSO4 with CaCl2 are experimentally investigated at 353 K. The common ion effect of CaCl2 in the FeCl2 solution for FeCl2·4H2O crystallization is predicted by NRTL modeling of the solid–liquid equilibria of the FeCl2–CaCl2–H2O system. High-quality, saleable α-gypsum and FeCl2·4H2O solids obtained by treating titanogypsum samples provided by a commercial processing plant further shows that the new process is feasible.
研究领域:
环境科学
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化学工程
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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
·
IF 2
Jingheng Zhu,Yanli Sun,Yongbo Chen,Niangeng Wu,Ruicheng Shi,Zhongqi Ren,Qunsheng Li,Hongkang Zhao
This study investigates the vapor–liquid phase equilibria for the binary system of methyl propionate and ethanol as well as for the ternary system with three ionic liquids, [BMIM][OAC], [EMIM][OAC], and [MMIM][DMP], as extractants. The nonrandom two-liquid (NRTL) model was employed to correlate the vapor–liquid phase equilibrium data. Results indicate that each ionic liquid increases the relative volatility of methyl propionate to ethanol and effectively breaks the azeotrope at a molar fraction of 0.08. The NRTL model exhibited an average relative deviation of 2.46% for binary systems and 3.73, 4.05, and 3.60% for ternary systems. Of the ionic liquids tested, [BMIM][OAC] achieved the highest separation efficiency in the methyl propionate-ethanol azeotropic system.
研究领域:
化学工程
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分离技术
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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
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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
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
·
IF 2.323
Si Li,Lingyu Wang,Minghe Zhu,Dandan Han,Ya Liu,Mingyang Chen,Jie Hou,Junbo Gong
The solubility of cinnamyl alcohol in 11 pure solvents (methanol, ethanol, n-propanol, isopropyl alcohol, n-butyl alcohol, isobutyl alcohol, sec-butyl alcohol, acetone, methyl acetate, ethyl acetate and n-hexane) and two binary solvents of n-hexane + (n-propanol, n-butyl alcohol) was measured by a gravimetric method over temperatures from 253.15 K to 293.15 K at atmosphere pressure. From the experimental results, it was found that the solubility increased with the increasing temperature in all these solvents. The Apelblat model, the λh model, and the nonrandom two-liquid (NRTL) model were used to correlate the solubility data of cinnamyl alcohol in pure and mixed solvents. The thermodynamic properties of the mixing process in binary solvents were calculated by the NRTL model. The result indicates that the mixing process of cinnamyl alcohol is endothermic and spontaneous. The experimental solubility provides good guidance for the subsequent study of crystallization design and crystal morphology of cinnamyl alcohol.
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
·
2016
·
IF 1.835
Weiping Luo,Dong Ruan,Dawei Liu,Kaili Xie,Xiuqing Li,Wei Deng,Cancheng Guo
The solubilities of adipic acid in acetic acid + ε-caprolactone mixtures and in cyclohexanone + ε-caprolactone mixtures were measured by using the method of dynamic laser under atmospheric pressure. The experimental temperature ranged from 305.55 to 343.15 K, and the mass fraction of ε-caprolactone in the solvent mixtures ranged from 0.100 to 1.000, respectively. It was found that with the increasing of mass fraction of ε-caprolactone in solvent mixtures (0.100 to 1.000), the measured solubilities of adipic acid in acetic acid + ε-caprolactone mixtures decreased at the same temperature. However, in cyclohexanone + ε-caprolactone mixtures, the solubility showed an opposite trend with the increasing of mass fraction of ε-caprolactone in solvent mixtures. The experimental data were correlated by the modified NRTL activity coefficient model, and the values of the solubility calculated showed good agreement with the experimental observations.
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
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
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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
危险品化学品经营许可证（带存储）