Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures

doi:10.1016/j.cjche.2017.05.007

›› 2017, Vol. 25 ›› Issue (10): 1473-1480.DOI: 10.1016/j.cjche.2017.05.007

• Chemical Engineering Thermodynamics • 上一篇下一篇

Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures

Xiangdong Li, Minqing Zhang, Jinli Zhang, Wenpeng Li, Wei Li

Key Laboratory for Green Chemical Technology MOE, Collaborative Innovation Center of Chemical Science and Chemical Engineering(Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China

收稿日期:2016-12-26 修回日期:2017-05-18 出版日期:2017-10-28 发布日期:2017-05-18
通讯作者: Wei Li,E-mail address:liwei@tju.edu.cn
基金资助:
Supported by the NSFC (21576206) and the Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R46).

Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures

Xiangdong Li, Minqing Zhang, Jinli Zhang, Wenpeng Li, Wei Li

Key Laboratory for Green Chemical Technology MOE, Collaborative Innovation Center of Chemical Science and Chemical Engineering(Tianjin), School of Chemical Engineering and Technology, Tianjin University, Tianjin 300350, China

Received:2016-12-26 Revised:2017-05-18 Online:2017-10-28 Published:2017-05-18
Supported by:
Supported by the NSFC (21576206) and the Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R46).

摘要/Abstract

摘要： The solubilities of trimethylolethane in butanol, methyl acetate, ethyl acetate as well as in mixed solvents of (methanol + ethyl acetate) and (ethanol + ethyl acetate) were measured with the gravimetric method in the temperature range from 283.15 K to 318.15 K under atmosphere pressure. The experiment results showed that the solubility of trimethylolethane increased with the temperature, or along with the concentration of methanol or ethanol in the solvents of (methanol + ethyl acetate) and (ethanol + ethyl acetate). In addition, the experiment values were correlated by the van't Hoff equation, Modified Apelblat Equation, λh Equation, CNIBS/R-K equation and Jouyban-Acree Model. The Modified Apelblat Equation provided the best fitting results of the solubility data of TME in the pure solvents while the CNIBS/R-K model showed the best estimation of the solubility in the binary solvent mixtures. Furthermore, the density functional theory (DFT) calculations showed that solubility in different solvents related to the strength of the interaction between the trimethylolethane and the solvent molecules. Finally, the standard molar enthalpy and molar entropy of trimethylolethane during the dissolving process was also calculated by Modified Apelblat equation in this work.

关键词: Trimethylolethane, Solubility, Phase equilibria, Molecular simulation, Dissolution enthalpy, Dissolution entropy

Abstract: The solubilities of trimethylolethane in butanol, methyl acetate, ethyl acetate as well as in mixed solvents of (methanol + ethyl acetate) and (ethanol + ethyl acetate) were measured with the gravimetric method in the temperature range from 283.15 K to 318.15 K under atmosphere pressure. The experiment results showed that the solubility of trimethylolethane increased with the temperature, or along with the concentration of methanol or ethanol in the solvents of (methanol + ethyl acetate) and (ethanol + ethyl acetate). In addition, the experiment values were correlated by the van't Hoff equation, Modified Apelblat Equation, λh Equation, CNIBS/R-K equation and Jouyban-Acree Model. The Modified Apelblat Equation provided the best fitting results of the solubility data of TME in the pure solvents while the CNIBS/R-K model showed the best estimation of the solubility in the binary solvent mixtures. Furthermore, the density functional theory (DFT) calculations showed that solubility in different solvents related to the strength of the interaction between the trimethylolethane and the solvent molecules. Finally, the standard molar enthalpy and molar entropy of trimethylolethane during the dissolving process was also calculated by Modified Apelblat equation in this work.

Key words: Trimethylolethane, Solubility, Phase equilibria, Molecular simulation, Dissolution enthalpy, Dissolution entropy

Xiangdong Li, Minqing Zhang, Jinli Zhang, Wenpeng Li, Wei Li. Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures[J]. , 2017, 25(10): 1473-1480.

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Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures

Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures

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