On the Chain Initiation Mechanism in the High Temperature Oxidation Process of C8 Alkane

DOI

10.2991/wartia-17.2017.25How to use a DOI?

Keywords

gasoline; combustion chemistry; chain initiation; DFT

Abstract

To study all kinds of elementary reactions at the level of gasoline hydrocarbon molecules has always been a core content of basic combustion research, but for a long time, studies often focus on the physical process in cylinder and don’t go deep into chemical details about the molecular structure and combustion mechanism of fuel, thereby restricting the feasibility to seek control and optimize combustion process from the perspective of chemical reaction. In this paper, we study the chain initiation reaction mechanism in the high temperature oxidation process of gasoline C8 hydrocarbon molecules and explain the relationship between the structure of hydrocarbon molecules and the middle-chain initiation characteristics of pre-flame reaction of hydrocarbon molecules at a molecular level using a theoretical chemical method. It is of great significance for petroleum refining and engine designers.

Copyright

© 2017, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

Download article (PDF)

TY  - CONF
AU  - Yakun Qu
AU  - Jun Long
AU  - Han Zhou
PY  - 2017/11
DA  - 2017/11
TI  - On the Chain Initiation Mechanism in the High Temperature Oxidation Process of C8 Alkane
BT  - Proceedings of the 3rd Workshop on Advanced Research and Technology in Industry (WARTIA 2017)
PB  - Atlantis Press
SP  - 126
EP  - 135
SN  - 2352-5401
UR  - https://doi.org/10.2991/wartia-17.2017.25
DO  - 10.2991/wartia-17.2017.25
ID  - Qu2017/11
ER  -