Hogoboom, Dane; Han, Yulun; Kilin, Dmitri - In: Journal of Nanotoxicology and Nanomedicine (JNN) 2 (2017) 2, pp. 12-30
In this article, density functional theory (DFT) based on ab initio molecular dynamics (AIMD) is used to study the combustion reaction of a specific rocket fuel, hydrazine (N2H4), accomplished by using dinitrogen tetroxide (N2O4) as the oxidant. The atomic model consists of 1:1 ratio of N2H4 and...
