Computational study on the mechanism and kinetics for the reaction between HO 2 and n -propyl peroxy radical

• Published in: RSC advances Vol. 9; no. 69; pp. 40437 - 40444
• Main Authors: Yang, Zhenli, Lin, Xiaoxiao, Zhou, Jiacheng, Hu, Mingfeng, Gai, Yanbo, Zhao, Weixiong, Long, Bo, Zhang, Weijun
• Format: Journal Article
• Language: English
• Published: England 06.12.2019

The -propyl peroxy radical ( -C H O ) is the key intermediate during atmospheric oxidation of propane (C H ) which plays an important role in the carbon and nitrogen cycles in the troposphere. In this paper, a comprehensive theoretical study on the reaction mechanism and kinetics of the reaction bet...