A DFT study on recombination of alkyl radicals to C2-C17 normal alkanes & branched C8 alkanes and corresponding C-C bond pyrolysis reaction-Reference-Cited by-同舟云学术

A DFT study on recombination of alkyl radicals to C2-C17 normal alkanes & branched C8 alkanes and corresponding C-C bond pyrolysis reaction

Published:2020-06-02 Issue:23 Volume:118 Page:e1773002
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Xu Wei¹²,Fan Hongjun¹

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, People’s Republic of China

2. College of Chemical and Materials Engineering, Anhui Science and Technology University, Fengyang, People’s Republic of China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

Strategic pilot science and technology project of the Chinese Academy of Sciences

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2020.1773002

Reference44 articles.

1. A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane

2. Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels

3. Predictive theory for the combination kinetics of two alkyl radicals

4. Developing detailed chemical kinetic mechanisms for fuel combustion

5. High-temperature ethane and propane decomposition

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