Thermal decomposition mechanism of some hydrocarbons by ReaxFF-based molecular dynamics and density functional theory study

Autor: Xin, Liyong, Liu, Chao, Liu, Yang, Huo, Erguang, Li, Qibin, Wang, Xurong, Cheng, Qinglin
Zdroj: In Fuel 1 September 2020 275
Databáze: ScienceDirect