G. E. Zaikov, M. I. Artsis, V. A. Babkin, D. S. Andreev, A. V. Ignatov, D. S. Zakharov, V. V. Vovko, V. S. Belousova
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引用次数: 0
Abstract
The mechanism of the initiation of isoolefins in the presence of ethylaluminum dichloride–proton donor (water, phenol, hydrochloric acid) complex catalysts is studied by ab initio HF.3.21G. The energetics of these reactions is estimated, and the values of its activation energy and thermal effects are obtained. It is found that among the studied catalysts, an increase in the activation energy of the reaction of the initiation of oligomerization of isoolefins contributes to an increase in the selectivity of the process.
期刊介绍：
Russian Journal of Physical Chemistry B: Focus on Physics is a journal that publishes studies in the following areas: elementary physical and chemical processes; structure of chemical compounds, reactivity, effect of external field and environment on chemical transformations; molecular dynamics and molecular organization; dynamics and kinetics of photoand radiation-induced processes; mechanism of chemical reactions in gas and condensed phases and at interfaces; chain and thermal processes of ignition, combustion and detonation in gases, two-phase and condensed systems; shock waves; new physical methods of examining chemical reactions; and biological processes in chemical physics.
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