JOURNAL OF CHEMICAL THERMODYNAMICS
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2014
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IF 2.423
Hui Wang,Qinbo Wang,Zhenhua Xiong,Chuxiong Chen,Binwei Shen
The solubility of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures was measured at temperature from (298.35 to 355.65) K and atmospheric pressure. The measured solubility increases with the increasing temperature at constant solvent composition. The effects of mass fraction benzaldehyde in the solvent mixtures at (0.0 to 1.00) on the solubility were studied. The measured solubility decreases with the increasing mass fraction of benzaldehyde. The experimental results were correlated with the non-random two-liquid (NRTL) equations, and good agreement between the correlated and the experimental values was obtained. Thermodynamic functions for the solution of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures were calculated with the van’t Hoff plot. The apparent dissolution Gibbs free energy change was also calculated.
研究领域:
物理化学
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热力学
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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
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2023
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IF 6
Yingmin Yu,Xinlei Niu,Xiaocheng Zhang,Houchun Yan,Jinshan Wang
In order to remove epichlorohydrin from wastewater, liquid–liquid equilibrium behaviors in the systems {water + epichlorohydrin + solvents (1-hexanol/1-heptanol/2-octanol/1-nonanol)} were determined at 303.2 K under101.3 kPa. The partition coefficients and separation factors in each system were used to compare and discuss the effects of extraction. The σ-profiles were used to discuss the interactions of substances in this work. The experimental data were correlated with the NRTL and UNIQUAC models, to obtain the binary interaction parameters required for each system. The GMcal_TieLinesLL GUI tools were applied to verify the consistency of the binary interaction parameters.
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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2020
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IF 5.065
Haixia He,Yameng Wan,Jiao Sha,Renren Sun,Gaoliang Jiang,Yu Li,Tao Li,Baozeng Ren
This research was focusing on determining the solid-liquid equilibrium solubility of exo-3,6-epoxy-1,2,3,6-tetrahydrophthalic acid anhydride (exo-5,6-dehydronorcantharidin) in thirteen mono-solvents by using laser monitoring approach at diverse temperature and pressure “ p = 0.1 MPa”. The results showed that the solubility data of exo-5,6-dehydronorcantharidin in all solvents was positively correlated with experimental temperature. Besides, the mole-fraction solubility values of exo-5,6-dehydronorcantharidin in all considered solvents at “ T = 298.15 K” were found maximum in N -methyl-2-pyrrolidinone (0.184) followed by N , N -Dimethylformamide (0.150), acetone (0.0629), acetonitrile (0.0508), methyl acetate (0.0420), 1,4-dioxane (0.0342), ethyl acetate (0.0275), n -propyl acetate (0.0210), isopropyl acetate (0.0191), butyl acetate (0.0172), isobutyl acetate (0.0165), amyl acetate (0.0137) and isoamyl acetate (0.0129). The polarity and Hansen solubility parameter of studied solvents were employed to reveal the affinity and solubility order of exo-5,6-dehydronorcantharidin, and the results indicated that the miscibility between solute and solvent relied on comprehensive effects of multiple factors. Moreover, the obtained solubility data was correlated with Wilson, NRTL, UNIQUAC and NRTL-SAC model. The correlation results showed that the UNIQUAC model can provide the best fitting effect with lower values of average relative deviation (ARD) and root-mean square deviation (RMSD). Finally, thermodynamic mixing and dissolution properties of exo-5,6-dehydronorcantharidin in thirteen neat solvents were calculated based on UNIQUAC model as well as experimental values.
研究领域:
化学工程
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物理化学
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热力学
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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
Gaoyin He,Liping Wang,Midong Shi,Qingsong Li,Yingmin Yu
The liquid–liquid equilibrium (LLE) data of the ternary systems (water + cyclopentanone + benzene or toluene) were determined at T = 303.2, 313.2, and 323.2 K, under 101 kPa. The reliability of the experimental tie-line data was sufficiently checked by the empirical Hand and Bachman equations. The distribution coefficient and separation factor were used to investigate the distribution of cyclopentanone between water and solvents. The results show that the separation factor decreases with increasing cyclopentanone amounts in organic phase and the influence of temperature is light in the study. The experimental tie-line data were correlated well with the NRTL and UNIQUAC activity coefficient models with a root mean square deviation (RMSD) as low as 0.81 and 0.50.
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
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2020
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IF 2.369
Haigang Liu,Bing Jia,Weizhen Sun,Shihua Dong
Liquid–liquid equilibrium (LLE) data for water + 2-methyl-3-buten-2-ol + (isopropyl ether or 4-methylpentan-2-ol or p-xylene or ethyl acetate) ternary systems was measured at 308.2 K under 101.3 kPa. Distribution coefficients and separation factors were obtained and applied to evaluate the extraction capacity of selected solvents. Furthermore, the experimental LLE data were successfully correlated by the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models, which showed a root-mean-square deviation (RMSD) of less than 0.78% for all systems.
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
BULLETIN OF THE CHEMICAL SOCIETY OF ETHIOPIA
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2024
·Vol. 38
·期 3
·799-810
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IF 1.3
Adel Noubigh
The solubility of two natural phenolic compounds (vanillic acid (VA) and vanillin (V)) in four individual solvents (ethanol, butan-2-ol, ethylene glycol, and ethyl acetate) was measured using the gravimetric method from 283.15 to 323.15 K at atmospheric pressure. The optimization of the complexes between VA–solvents and V–solvents using the B3LYP theoretic technique and the 6-31+G (d, p) basis set indicated that the absolute value of interaction energy was higher, suggesting that the interaction between solute and the solvent was stronger. In addition, two excellent activity coefficient models (NRTL and Wilson) were used to correlate and evaluate the equilibrium solubility results. The highest relative average deviation and root-mean-square deviation values for VA are 4.36% and 3.09 × 10-3, respectively, and 3.35% and 5.52 × 10-3 for V. Furthermore, the excess enthalpy of the solution was determined on the basis of thermodynamic relations and the Wilson model. The findings indicate that the dissolution process was endothermic.
KEY WORDS: Solid-liquid equilibrium, Vanillin, Vanillic acid, NRTL and Wilson models, Thermodynamic parameters
Bull. Chem. Soc. Ethiop. 2024, 38(3), 799-810.
DOI: https://dx.doi.org/10.4314/bcse.v38i3.19
研究领域:
化学
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物理化学
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2020
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IF 5.065
Kui Wu,Yajun Li
The synthesis and separation processes of chemical intermediate is based on the knowledge of its solid-liquid phase equilibrium with solvents in industry. In this work, the solubility of 2-chlorobenzenesulfonamide in 16 single pure solvents including methanol, ethanol, n -propanol, isopropanol, n -butanol, isobutanol , acetone, 2-butanone, 2-pentanone, cyclohexanone , cyclopentanone , ethyl acetate , methyl acetate , ethyl formate , acetonitrile and tetrahydrofuran was determined at temperature range from 273.15 to 324.65 K and atmospheric pressure. The mole fraction solubility of 2-chlorobenzenesulfonamide in all selected mono solvents was enhanced by an increase in temperature. In addition, the experimental data were further correlated by the modified Apelblat equation, λh equation, NRTL model and Wilson model. The values of RAD with NRTL equation were smaller than those with other three models, and thus the NRTL model offered the best fitting performance. The thermodynamic functions of dissolution including enthalpy, entropy, and Gibbs energy were derived, and the results expectedly suggested a spontaneous and entropy-driven mixing process. All the crystallographic and thermodynamic data reported in this study provides the fundamental data for designing and optimizing of the reaction and crystallization processes of 2-chlorobenzenesulfonamide.
研究领域:
化学工程
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物理化学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Hengde Li,Li Wan,Guoqiang Chu,Wei Tan,Baoyu Liu,Yanlin Qin,Yuqing Feng,Dalei Sun,Yanxiong Fang
As an eco-friendly compound and good solvent, cineole (1,8-cineole, eucalyptol) has been evaluated for the extraction property of phenols (phenol or p-cresol) from aqueous solutions. This paper presents experimental (liquid + liquid) equilibrium (LLE) data for the ternary (water + phenol + cineole) and (water + p-cresol + cineole) mixtures from high concentration to low concentration of phenols-water solution. The mutual solubility of the binary (water + cineole) and (water + phenol or p-cresol) systems, and the LLE results for the ternary systems were determined with a tie-line method at T = (283.15, 298.15, and 313.15) K under atmospheric pressure. The experiment LLE results showed that cineole as a good extractant exhibited high extraction ability for phenol or p-cresol from aqueous solutions. The influence of temperature on the (liquid + liquid) phase equilibria was studied. The well-known Hand and Bachman equations were used to test the reliability of the experimental values. Moreover, the experimental LLE results were satisfactorily correlated by the NRTL and UNIQUAC models.
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 CHEMICAL AND ENGINEERING DATA
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2019
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IF 2.298
Peng Fang,Jia Wang,Zuoxiang Zeng,Weilan Xue
Liquid–liquid equilibrium (LLE) and solubility data for the quaternary system isopropyl acetate + isopropanol + acetic acid + water and for the ternary systems isopropyl acetate + isopropanol + water and isopropyl acetate + acetic acid + water were studied at 313.15 K under 101.3 kPa. Five quaternary systems with different mole ratios of acetic acid to isopropanol were studied. The Othmer–Tobias and Bachman methods were used to correlate the tie-line data. The experimental LLE data were regressed by the NRTL thermodynamic model, indicating the experimental and the calculated data have a good correlation, with a standard deviation less than 1.42%.
研究领域:
化学工程
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热力学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2018
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IF 2.631
Huanxin Li,Junwei Zhang,Yonghui Dou,Li Xu,Guoji Liu
(Liquid + liquid) equilibrium data for the ternary systems of {(2-Methyl-1-propanol or 3-Methyl-1-butanol) + (1 R ,2 R )-(−)-1,2-Diaminocyclohexane + water} were measured at (288.2–318.2) K under atmospheric pressure. The Othmer-Tobias and Hand equations were employed to verify the reliability of the experimental data. Besides, the distribution coefficients and selectivity factors calculated from the experimental tie-line data were applied to evaluate the extraction performance of separating (1 R ,2 R )-(−)-1,2-Diaminocyclohexane from aqueous solution and 3-Methyl-1-butanol was proved to be very promising. Furthermore, the binary interaction parameter values were obtained by correlating the experimental data with NRTL and UNIQUAC models. All the RMSD values were less than 0.0184, indicating that both models can be used to describe the liquid-liquid equilibrium behaviour of the studied systems.
研究领域:
化学工程
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热力学
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高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
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IF 2.196
Hengde Li,Zhangni Feng,Li Wan,Cheng Huang,Tianfei Zhang,Yanxiong Fang
As an eco-friendly compound from essential oils, 1,8-cineole (cineole, eucalyptol) has the potential to replace the ozone depleting industrial solvents. This paper presents experimental (liquid + liquid) equilibrium (LLE) data for four alcohol–water systems containing 1,8-cineole. To evaluate the phase equilibrium properties of 1,8-cineole in aqueous alcohol mixtures, LLE values for the ternary systems (water + methanol or ethanol or 1-propanol or 1-butanol + 1,8-cineole) were determined with a tie-line method at T = 298.15 K under atmospheric pressure. The well-known Hand, Bachman and Othmer–Tobias equations were used to test the reliability of the experimental results. The binodal curves and distribution ratios of alcohol in the mixtures are shown and discussed. The experimental LLE values were satisfactorily correlated by the NRTL and UNIQUAC models.
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
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