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)

Numbers of major pyrolysis products H, HO, H₂O, NO₂, etc., along the Hugoniot line at (a) P = 7.02 GPa, T = 2191.64 K; (b) P = 11.0 GPa, T = 2358.70 K; (c) P = 15.00 GPa, T = 2572.45 K; (d) P = 20.03 GPa, T = 3371.37 K, and the comparisons among populations of (e) NM (f) H₂O molecules at pressures along the Hugoniot line. The dashed lines in panel (e) refer to the fitting to the function N ( t ) = N ₀e^{− kt} to determine the decay rate k of NM.