V. Babkin, D. S. Andreev, A. Ignatov, M. Artsis, V. Belousova
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引用次数: 0
摘要
本文采用 ab initio RHF 理论量子化学方法，研究了在氯化铝-水催化剂存在下，乙烯在化学计量组成为 1:1:1:2 的庚烷溶剂中的引发机理。得出了该反应的活化能和热效应。这些数据有助于阳离子聚合领域的进一步研究，也可用于开发具有光纤特定物理化学特性的聚乙烯新技术工艺。
Mechanism of initiation of ethylene cationic polymerization in the presence of an aluminum chloride aquacomplex in heptane with a stoichiometric composition of 1:1:1:2 at the quantum level
In this paper, the mechanism of ethylene initiation in the presence of an aluminum chloride – water catalyst in a heptane solvent of stoichiometric composition 1:1:1:2 was studied using the ab initio RHF theoretical quantum chemical method. The activation energy and thermal effect of this reaction were obtained. These data can be useful for further research in the field of cationic polymerization, and can also be used in the development of new technological processes of polyethylene with specified physicochemical properties characteristic of fiber optics.
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