庚烷中“氟化硼-水”络合催化剂存在下阳离子异丁烯聚合引发反应的活化能和热效应

Fluorine Notes Pub Date : 2022-04-27 DOI:10.17677/fn20714807.2022.02.02

A. Rakhimov

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摘要

本文用从头算方法计算了不同化学计量组成的氟化硼-水庚烷络合催化剂在阳离子异丁烯聚合起始阶段的活化能和热效应。庚烷量的增加导致反应活化能的降低。

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Activation energy and thermal effect of initiation reaction of cationic isobutylene polymerization in the presence of complex catalyst “boron fluoride – water” in heptane

: This paper presents data on activation energy and thermal effects at the stage of initiation of cationic isobutylene polymerization in the presence of complex catalyst boron fluoride – water in heptane with various stoichiometric composition, obtained by quantum chemical calculation using ab initio method. It has been established that increase in heptane amount leads to decrease in activation energy of reaction studied.

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Fluorine Notes

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