Thermodynamic calculation and analysis of the etherification process of D-sorbitol
D-sorbitol undergoes etherification reaction under the catalysis of acid to form a mixture of dehydrated sorbitol.For the convenience of understanding the characteristics of each reaction,group contribution methods such as Benson method,Myrdal-Krzyzaniak-Yalkowsky method,Joback method and Marrero-Pardillo bond contribution method were used to estimate the thermodynamic parameters such as standard molar enthalpy of forma-tion,standard molar entropy and molar constant pressure heat capacity of the substances in-volved in the D-sorbitol etherification reaction.The standard molar reaction enthalpy change,standard molar reaction Gibbs free energy change and equilibrium constant of each reaction were calculated at different temperatures.The calculation results indicate that all reactions during the etherification process of D-sorbitol are endothermic and it is beneficial for the etherification reaction when the temperature increased.The Gibbs free energy change of the standard molar reaction is all less than zero,indicating that the reaction is spontaneous and can proceed completely in a forward direction.The equilibrium constant of 1,4-sorbitan in the product is relatively large,which further leads to the formation of isosorbide.These datas provide theoretical reference for the efficient preparation of sorbitans.
D-sorbitoletherificationthermodynamicscalculation and analysis
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