Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive
CEA,DAM,DIF - F-91297 Arpajon, France, EU
2 Équipe de Chimie Physique, IPREM UMR5254, Université de Pau et des Pays de l'Adour 2 avenue du Président Pierre Angot, 64053 Pau cedex 9, France, EU
3 Université de Paris Est, CERMICS, Projet MICMAC ENPC-INRIA - 6 & 8 Av. Pascal, 77455 Marne-la-Vallée Cedex 2, France, EU
Accepted: 7 November 2011
An extension of the model described in a previous work (see Maillet J. B. et al., EPL, 78 (2007) 68001) based on Dissipative Particle Dynamics is presented and applied to a liquid high explosive (HE), with thermodynamic properties mimicking those of liquid nitromethane. Large scale nonequilibrium simulations of reacting liquid HE with model kinetic under sustained shock conditions allow a better understanding of the shock-to-detonation transition in homogeneous explosives. Moreover, the propagation of the reactive wave appears discontinuous since ignition points in the shocked material can be activated by the compressive waves emitted from the onset of chemical reactions.
PACS: 82.40.Fp – Shock wave initiated reactions, high-pressure chemistry / 05.10.-a – Computational methods in statistical physics and nonlinear dynamics / 05.70.Ln – Nonequilibrium and irreversible thermodynamics
© EPLA, 2011