High-Pressure Limit and Pressure-Dependent Rate Rules for <i>β</i>-Scission Reaction Class of Hydroperoxyl Alkyl Hydroperoxyl Radicals (•P(OOH)<sub>2</sub>) in Normal-Alkyl Cyclohexanes Combustion

High-Pressure Limit and Pressure-Dependent Rate Rules for <i>β</i>-Scission Reaction Class of Hydroperoxyl Alkyl Hydroperoxyl Radicals (•P(OOH)<sub>2</sub>) in Normal-Alkyl Cyclohexanes Combustion

Chemical kinetic studies of the <i>β</i>-scission reaction class of hydroperoxyl alkyl hydroperoxyl radicals (•P(OOH)<sub>2</sub>) from normal-alkyl cyclohexanes are carried out systematically through high-level ab initio calculations. Geometry optimizations and frequency cal...

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Bibliographic Details
Main Authors: Xiaoxia Yao, Xiaoli Sun, Yifei Zhu
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Molecules
Subjects:
hydroperoxyl alkyl hydroperoxyl radicals
<i>β</i>-scission reaction class
reaction rate constants
reaction rate rules
Online Access:https://www.mdpi.com/1420-3049/29/2/544

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