FLUID PHASE EQUILIBRIA
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2022
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IF 2.745
Jingjun Liu,Dandan Pan,Qing Zhang,Yulei Guan,Bolun Yang
Phase splitting and merging exist in the glycerol transesterification with diethyl carbonate. This work measured the liquid-liquid equilibrium data for two ternary systems (glycerol – diethyl carbonate – glycerol carbonate/ethanol) and one quaternary system (glycerol – diethyl carbonate – glycerol carbonate – ethanol) involved in the glycerol transesterification at various temperatures (343.2 K, 363.2 K, 383.2 K, and 403.2 K) and 1.5 MPa. The equilibrium data were correlated using the NRTL as the activity coefficient model, and the corresponding binary interaction parameters were estimated and validated by checking the consistency of the Gibbs free energy and phase stability for all mixtures in both the immiscible and homogeneous regions. The NRTL model with the regressed parameters could tightly capture the phase equilibrium trends of the 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 THERMODYNAMICS
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2018
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IF 2.631
Bao Tao,Xiuqing Li,Mengqi Yan,Weiping Luo
In this study, the solubility of dibenzothiophene (DBT) in N,N-dimethylformamide, 2-(2-butoxyethoxy)ethanol, n -propanol, n -octane, diethylene glycol, decahydronaphthalene, sulfolane, dimethyl sulfoxide and acetone, were measured by using the method of dynamic laser at atmospheric pressure. The experimental temperature ranged from 282.75 K to 341.15 K. The results show that within the temperature range studied, the solubility of DBT increased with increasing temperature. The experimental data were correlated by the Apelblat model, λh model and the modified non-random two liquid (NRTL) activity coefficient model, and the calculated solubility agree satisfactorily with the measured results. The result of Akaike Information Criterion ( AIC ) analysis showed that the Apelblat model was the best model to correlate the solubility of DBT in diethylene glycol, n -octane, sulfolane and decahydronaphthalene, the λh model was the best model to correlate the solubility of DBT in 2-(2-butoxyethoxy)ethanol and the modified NRTL model was the best model to correlate the solubility of DBT in N,N-dimethylformamide, acetone, dimethyl sulfoxide and n -propanol. Furthermore, the thermodynamic functions including dissolution enthalpy, entropy and Gibbs energy were obtained from the solubility data by using the van’t Hoff equation.
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
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2016
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IF 1.835
Juan Li,Zuo-Xiang Zeng,Li Sun,Wei-Lan Xue,Hui-Hui Wang
The solubilities of trans-cinnamic acid (t-CA) in methanol, ethanol, propanol, n-butanol, isopropyl alcohol, and isobutyl alcohol were measured by a synthetic method at temperatures ranging from (283.15 to 333.15) K. The modified Apelblat equation, the λh equation, and activity coefficient models (nonrandom two-liquid, NRTL; universal quasichemical, UNIQUAC) were used to correlate these data. It was found that all of the models show good agreement with the experimental data, and the modified Apelblat equation and NRTL model give better correlation results. Furthermore, on the basis of the NRTL model and experimental data, the thermodynamic excess functions (GE, SE, HE) of t-CA + alcohols (methanol, ethanol, propanol, n-butanol, isopropyl alcohol, and isobutyl alcohol) system were determined.
研究领域:
物理化学
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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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2023
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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
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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
Lixia Yang,Yuexia Han,Zhen Jiao
To obtain the basic data for the recovery of 1-methylimidazole from wastewater by extraction, the ternary liquid–liquid phase equilibrium data of the water (1) + 1-methylimidazole (2) + 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) (3) system were determined using an equilibrium autoclave at the temperatures of 303.15 to 323.15 K and 101.32 kPa. The solute distribution coefficient (D) and the selectivity (S) of the ternary system were calculated in accordance with the experimental data. Their values were up to 1.39 and 41.17, respectively, which showed that the ionic liquid can extract 1-methylimidazole effectively. The experimental results showed that the temperature had a slight effect on the liquid–liquid equilibrium behavior. Meanwhile, the calculated results revealed that the selectivity coefficient decreased with the enhancing concentration of 1-methylimidazole in the ternary system and the increasing temperature. In addition, the nonrandom two liquid (NRTL) model was used for correlation of the ternary systems. The root-mean-square deviation value of 0.0218 indicated that the calculated results using the model were in good agreement with the experimental data and were reliable to apply to practice.
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
JOURNAL OF MOLECULAR LIQUIDS
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2017
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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
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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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2025
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IF 2.1
Mingya Wang,Hongxia Pan,Yongzheng Liu,Jun Chen,Duanlin Cao,Linxiu Zhao
3(5)-Nitropyrazole is obtained by rearrangement of 1-nitropyrazole in high boiling organic solvents. In this paper, the solubility of 3(5)-nitropyrazole in 12 high boiling solvents (anisole, benzonitrile, mesitylene, o-dichlorobenzene, 1-octanol, benzyl alcohol, 2-ethylhexyl acetate, dimethyl glutarate, cyclohexanone, N,N-dimethylformamide, N-methylformamide, and isophorone) was determined using the static gravimetric method over the temperature range of 283.15–323.15 K. The experimental results revealed that the solubility of 3(5)-nitropyrazole exhibited a positive correlation with temperature. Under ambient conditions at 298.15 K, the solubility decreased in the following order: N,N-dimethylformamide (37.705 × 10–2), N-methylformamide (20.131 × 10–2), cyclohexanone (13.469 × 10–2), isophorone (11.957 × 10–2), dimethyl glutarate (6.667 × 10–2), benzyl alcohol (3.909 × 10–2), benzonitrile (2.915 × 10–2), 1-octanol (1.916 × 10–2), 2-ethylhexyl acetate (1.220 × 10–2), o-dichlorobenzene (0.666 × 10–2), anisole (0.688 × 10–2), and mesitylene (0.246 × 10–2). The solubility of 3(5)-nitropyrazole was fitted using the Apelblat equation, λh equation, NRTL model, and van’t Hoff model. The fitting results were evaluated using average relative deviation and RMSD. The NRTL model exhibited the best overall performance. The use of Hansen solubility parameters for solubility prediction and analysis has certain limitations.
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
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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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
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热力学
✓ 已验证
产品关联
DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2018
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IF 2.197
Shujie Li,Xiaoling Huang,Qiang Huang,Tongtong Guo,Shuaishuai Yun,Chunlan Ban,Guopeng Shen
The vapor-liquid equilibria at 101.3 kPa of seven binary systems: ethanol (1) + cyclohexane (2), ethanol (1) + n-hexane (2), ethanol (1) + n-octane (2), cyclohexane (1) + ethyl propionate (2), n-hexane (1) + ethyl propionate (2), n-octane (1) + ethyl propionate (2) and ethanol (1) + ethyl propionate (2), three ternary systems : ethanol (1) + cyclohexane (2) + ethyl propionate (3), ethanol (1) + n-hexane (2) + ethyl propionate (3) and ethanol (1) + n-octane (2) + ethyl propionate (3) at temperatures from 332.15 to 396.85 K were studied, all the binary VLE data passed the Herington test. Wilson, NRTL and UNIQUAC models were used to correlate experimental VLE data of the all systems to obtain interaction parameters through the MATLAB software and the experimental values were compared with the regression results. The Wilson and NRTL models reproduced the experimental values very well. Ternary VLE behavior were successfully predicted by the correlated binary parameters. The VLE data for the binary and ternary systems predicted by the correlated interaction parameters were in good agreement with all the experimental 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 AND ENGINEERING DATA
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2019
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IF 2.298
Kui Wu,Yajun Li
The solid–liquid equilibrium data of o-toluenesulfonamide in 16 pure organic solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, isopentanol, acetone, ethyl acetate, acetonitrile, cyclohexanone, cyclopentanone, methyl acetate, ethyl formate, and dichloromethane, were measured by a static gravimetric method with the temperature ranging from 273.15 to 323.85 K under atmospheric pressure. The results showed that the solubility of o-toluenesulfonamide increased with the increasing temperature in all the solvents studied. The experimental solubility data were correlated by the modified Apelblat equation, λh equation, nonrandom two-liquid (NRTL) equation, and Wilson equation. All the models could be well employed, and the NRTL model gave the best fitting results.
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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2018
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IF 2.196
Heng Ban,Teng Pan,Youwei Cheng,Lijun Wang,Xi Li
The solubilities of 2,5-furandicarboxylic acid (FDCA) in binary acetic acid + water, methanol + water, and ethanol + water solvent mixtures were measured by a static analytical method with the mass fraction of water in the solvent varying from 0 to 0.3 at atmospheric pressure. Furthermore, the molar enthalpy of fusion (ΔfusH = 55.131 kJ/mol) and fusion temperature (Tfus = 614.45 K) of FDCA were determined by differential scanning calorimetry. The non-random two liquid (NRTL) model and the measured parameters were used to correlate these solubility data, and the relevant parameters were regressed by the least-squares method. The NRTL model was found to provide a satisfactory representation of the experimental data.
研究领域:
化学工程
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材料科学
✓ 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
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
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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）