Journal
COMBUSTION SCIENCE AND TECHNOLOGY
Volume 184, Issue 9, Pages 1233-1243Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/00102202.2012.679714
Keywords
Combustion; Jet fuel; JP-10; MD simulations; ReaxFF
Funding
- National Natural Science Foundation of China
- China Academy of Engineering Physics [10976019 (NSAF)]
Ask authors/readers for more resources
By applying ReaxFF (reactive force field) molecular dynamics simulations, we offer a mechanistic study of the JP10 combustion process from a statistics perspective. Through analysis of the distribution of radicals such as H, O, OH, and HO2, we discuss the chain reaction mechanisms, which relate to the explosive characteristic of combustion. The first stage of combustion of JP10 is the developing of a radical pool such as H, O, OH, and HO2, which is essential for combustion. In the next stage, JP10 molecules and molecular fragments, which are developed by decomposition of JP10, are rapidly attacked by radical pool of H, O, OH, and HO2, generating oxygenated chemicals such as formyls(R-CHO), alcohols(R-OH), R-O-R', and ketones (GRAPHICS). In the third stage, these chemicals are further oxidized by the radical pool generating molecules such as H2O, CO2, CO, and a new radical pool for chain reactions.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available