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Measurement and correlation of solubility of trimethylolethane in different pure solvents and binary mixtures
Authors:Xiangdong Li  Minqing Zhang  Jinli Zhang  Wenpeng Li  Wei Li
Affiliation: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
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 gravimetTic 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 Hoffequation,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.
Keywords:Trimethylolethane  Solubility  Phase equilibria  Molecular simulation  Dissolution enthalpy  Dissolution entropy
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