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分析和计算二异丙苯烷基转移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。本文根据热力学原理,采用Excel软件,建立了反应焓变和自由能变化与温度的关系方程;建立了反应的平衡常数K与二异丙苯平衡转化率Y的关系。计算结果表明,在标准状态下,该反应的ΔH_(f,r)~0=2．53 kJ·mol~(-1),ΔG_(f,r)~0=-0．23 kJ·mol~(-1);当n_B/n_(DIPB)保持不变时,二异丙苯的平衡转化率随n_B/n_(DIPB)的增大而提高;当温度不变时,X随温度升高缓慢上升。
The analysis and calculation of the thermodynamics of the diisopropyl benzene transalkylation are of great significance for the development of the catalyst and reaction process. In this paper, according to the principle of thermodynamics, using Excel software, the equations of the relationship between the enthalpy change and the free energy change of the reaction and the temperature are established. The relationship between the equilibrium constant K of the reaction and the equilibrium conversion Y of diisopropylbenzene is established. The calculated results show that ΔH f f 0 ~ 2.53 kJ · mol -1, ΔG f f 0 ~ -0.23 kJ · mol ~ (-1). When n_B / n_ (DIPB) remains unchanged, the equilibrium conversion of diisopropylbenzene increases with the increase of nB / n_ (DIPB). When the temperature is constant, the temperature of X increases slowly rise.