REACTION KINETICS OF CH4 AND C2H6 WITH O2 IN EXCITED ELECTRONIC STATES: REACTION PATHWAYS AND RATE CONSTANTS

V. A. Pelevkin, A. Sharipov
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Abstract

Quantum chemical study with the use of the multireference state-averaged complete active space self-consistent field approach was carried out to explore the reactions of CH4 and C2H6 molecules with O2 in different electronic states highly relevant for plasma-assisted combustion and plasma-chemical fuel reforming.
ch4和c2h6与o2在激发态下的反应动力学:反应途径和速率常数
利用多参考状态平均完全活性空间自洽场方法,对CH4和C2H6分子与O2在不同电子状态下的反应进行了量子化学研究,这些反应与等离子体辅助燃烧和等离子体化学燃料重整高度相关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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