摘要
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。
It plays a very important role in determining the reaction process conditions and selecting the catalyst to analyse and calculate the reaction thermodynamic data of diisopropylbenzene （DIPB） transalkylation with benzene. The relationship formula between △Hfτ^0,△Gfτ^0 and the reaction temperature were established respectively, meanwhile, giving the equation between the equilibrium conversion of DIPB and thermodynamic equilibrium constant according to the thermodynamic method. The results shows that the△Hfτ^0 is 2.53 kJ ·mol^-1 and △Gfτ^0 is equal to -0. 23 kJ · mol^-1 under the standard state. It indicates that the diisopropylbenzene equilibrium conversion increases along with the increasing of the ratio of nB/nDtPB at the same temperature and the equilibrium conversion of DIPB goes up slightly with the increasing of the temperature under the same ratio of nB/nDtPS.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2007年第2期145-148,共4页
Computers and Applied Chemistry
基金
国家973项目(2004C671950000)
关键词
二异丙苯
烷基转移
热力学
异丙苯
diisopropylbenzene
transalkylation
thermodynamic
cumene
