Theoretical study on the H-atom abstraction reactions of pentanol + HȮ<sub>2</sub>, part I: five branched pentanol isomers-Reference-Cited by-同舟云学术

Theoretical study on the H-atom abstraction reactions of pentanol + HȮ₂, part I: five branched pentanol isomers

Published:2024 Issue:29 Volume:26 Page:20022-20036
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chen Jin-Tao¹²,Liang Yueying³,Lang Haoyuan¹,Lu Xingcai³^ORCID,Yang Lijun⁴^ORCID,Zhou Chong-Wen¹²^ORCID

Affiliation:

1. School of Energy and Power Engineering, Beihang University, Beijing 100191, P. R. China

2. Combustion Chemistry Centre, School of Biological and Chemical Sciences, MaREI, Ryan Institute, University of Galway, Galway, Ireland

3. Key Laboratory for Power Machinery and Engineering of M. O. E, Shanghai Jiao Tong University, Shanghai 200240, P. R. China

4. School of Astronautics, Beihang University, Beijing 100191, P. R. China

Abstract

The chemical kinetic studies of hydrogen atom abstraction reactions by hydroperoxyl radicals from five branched pentanol isomers were investigated systematically through high-level ab initio calculations.

Funder

China Scholarship Council

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01923G

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