Theoretical Studies on the Reaction Mechanism and Kinetics of Ethylbenzene-OH Adduct with O<sub>2</sub> and NO<sub>2</sub>

Theoretical Studies on the Reaction Mechanism and Kinetics of Ethylbenzene-OH Adduct with O<sub>2</sub> and NO<sub>2</sub>

The OH-initiated reaction of ethylbenzene results in major OH addition, and the formed ethylbenzene-OH adducts subsequently react with O<sub>2</sub> and NO<sub>2</sub>, which determine the components of the oxidation products. In this study, nine possible reaction paths of th...

Full description

Bibliographic Details
Main Authors: Tingting Lu, Mingqiang Huang, Xin Lin, Wei Zhang, Weixiong Zhao, Changjin Hu, Xuejun Gu, Weijun Zhang
Format: Article
Language:English
Published: MDPI AG 2021-08-01
Series:Atmosphere
Subjects:
ethylbenzene-OH adduct
reaction mechanism
rate constant
transition state theory
Online Access:https://www.mdpi.com/2073-4433/12/9/1118

Internet

https://www.mdpi.com/2073-4433/12/9/1118

Similar Items