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分析和计算山梨醇与对甲基苯甲醛合成山梨醇缩醛反应的热力学对于开发该反应的催化剂和反应工艺具有重要意义。首次利用Benson法计算了山梨醇一缩对甲基苯甲醛(MPBS)、山梨醇二缩对甲基苯甲醛(DPBS)和山梨醇三缩对甲基苯甲醛(TPBS)的热力学参数,建立了MPBS、DPBS和TPBS的热容与温度的关系方程。在此基础上,利用Kirchhoff方程,分别建立了山梨醇与对甲基苯甲醛缩合为MPBS、DPBS和TPBS 3个反应的焓变与温度的关系方程,计算表明在300 K～1000 K温度范围内,山梨醇与对甲基苯甲醛缩合生成MPBS、DPBS和TPBS的3个反应均为放热反应。
Analysis and calculation of sorbitol and p-methylbenzaldehyde Synthesis of sorbitol acetal thermodynamics of the reaction for the development of the catalyst and the reaction process is of great significance. The thermodynamic parameters of sorbitol trimethylaldehyde (MPBS), sorbitol di-p-methylbenzaldehyde (DPBS) and sorbitol tri-p-methylbenzaldehyde (TPBS) were calculated for the first time using the Benson method. Equation of heat capacity and temperature for MPBS, DPBS and TPBS. On this basis, Kirchhoff equation was used to establish the equation of enthalpy change and temperature for the condensation of sorbitol and p-methylbenzaldehyde into MPBS, DPBS and TPBS, respectively. The calculation shows that in the temperature range of 300 K to 1000 K , 3 reactions of sorbitol and p-methylbenzaldehyde to generate MPBS, DPBS and TPBS are exothermic reactions.