Theoretical investigation on isomerization and decomposition reactions of pentanol radicals-part I: branched pentanol isomers

Author:

Liang Yueying1,Zhu Yuxiang2,Chen Jintao2,Lu Xingcai1ORCID,Zhou Chong-Wen23ORCID

Affiliation:

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

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

3. Combustion Chemistry Centre, School of Biological and Chemical Sciences, University of Galway, Galway H91TK33, Ireland

Abstract

Theoretical investigations on the kinetics of decomposition and isomerization reactions for five types of branched pentanol radicals are carried out in this work.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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