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分析和计算苯与苯乙烯烷基化合成1,2-二苯乙烷反应的热力学,对于开发该反应的催化剂和反应工艺具有重要意义。本文利用热力学基本原理,首次建立了该反应的焓变及Gibbs自由能变化与反应温度的关系,建立了反应的平衡常数与苯乙烯平衡转化率的关系。结果表明,在标准状态下,该反应的Δ_rH_m~0(298 K)=-87.088 KJ·mol~(-1),△_rG_m~0(298 K)=-46.496 kJ·mol~(-1),反应为强放热自发反应;降低反应温度和提高反应压力,有利于提高苯乙烯的平衡转化率。
Analysis and calculation of benzene and styrene alkylation of 1,2-diphenylethane reaction thermodynamics, for the development of the reaction of the catalyst and the reaction process is of great significance. In this paper, based on the basic principles of thermodynamics, the relationship between the enthalpy change and the Gibbs free energy and the reaction temperature was established for the first time. The equilibrium constant of the reaction and the equilibrium conversion of styrene were established. The results showed that Δ_rH_m ~ 0 (298 K) = - 87.088 KJ · mol -1, Δ_rG_m ~ 0 (298 K) = - 46.496 kJ · mol -1, The reaction is strongly exothermic spontaneous reaction; to reduce the reaction temperature and increase the reaction pressure, help to improve the equilibrium conversion of styrene.