论文部分内容阅读
本文采用ASED-MO法对Ziegler-Natta型催化剂催化的α-烯烃聚合过程中AlR_3组分对催化剂活性的影响进行了研究.得到了无AlR_3组分存在和一系列不同AlR_3存在时链增长过程的能量变化和相应的活化能.通过比较看出,AlR_3存在可以明显增强催化剂活性.同时运用分子轨道分析的方法探讨了AlR_3增强催化活性的原因.
In this paper, the ASED-MO method was used to study the effect of AlR 3 component on the catalyst activity during the polymerization of α-olefin catalyzed by Ziegler-Natta catalyst. The results show that the presence of AlR_3-free components and the chain growth process in the presence of a series of AlR 3 Energy change and the corresponding activation energy.According to the comparison, the presence of AlR_3 can significantly enhance the catalytic activity.At the same time, the molecular orbital analysis method was used to investigate the reason for the enhanced catalytic activity of AlR_3.