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

doi:10.1016/j.cjche.2017.05.007

Abstract

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

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

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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