Hugoniot curve calculation of nitromethane decomposition mixtures: A reactive force field molecular dynamics approach<xref ref-type="fn" rid="cpb150676fn1">*</xref>

Hugoniot curve calculation of nitromethane decomposition mixtures: A reactive force field molecular dynamics approach*

Guo Feng^a),^b), Zhang Hong^d), Hu Hai-Quan^a),^b), Cheng Xin-Lu^c), Zhang Li-Yan^e)

(a) Shock velocity–particle velocity relationships of N₂–CO mixture under different initial thermal conditions (different pressures and temperatures). (b) The comparisons of P – ρ curves among our results, theoretical calculation, and principal experiments, and the starting Hugoniot point of N₂/CO mixture in this work is at T = 119 K, ρ = 0.799 g/cm³, and P = 0.01 GPa. (c) The T – ρ curves, T ranging from 119 K to 3934 K. (d) The curves of total energy versus simulation time showing that the heat producing reactions mainly take place at 10 GPa.