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Lemarchand A, Nowakowski B, Dumazer G, et al. Microscopic simulations of supersonic and subsonic exothermic chemical wave fronts and transition to detonation. J Chem Phys. 2011;134(3):034121doi: 10.1063/1.3522878.
Lemarchand, A., Nowakowski, B., Dumazer, G., & Antoine, C. (2011). Microscopic simulations of supersonic and subsonic exothermic chemical wave fronts and transition to detonation. The Journal of chemical physics, 134(3), 034121. https://doi.org/10.1063/1.3522878
Lemarchand, A, et al. "Microscopic simulations of supersonic and subsonic exothermic chemical wave fronts and transition to detonation." The Journal of chemical physics vol. 134,3 (2011): 034121. doi: https://doi.org/10.1063/1.3522878
Lemarchand A, Nowakowski B, Dumazer G, Antoine C. Microscopic simulations of supersonic and subsonic exothermic chemical wave fronts and transition to detonation. J Chem Phys. 2011 Jan 21;134(3):034121. doi: 10.1063/1.3522878. PMID: 21261344.
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J Chem Phys. 2011 Jan 21;134(3):034121. doi: 10.1063/1.3522878.

Microscopic simulations of supersonic and subsonic exothermic chemical wave fronts and transition to detonation.

The Journal of chemical physics

A Lemarchand, B Nowakowski, G Dumazer, C Antoine

Affiliations

  1. C.N.R.S., Université Pierre et Marie Curie-Paris 6, Laboratoire de Physique Théorique de la Matière Condensée, UMR 7600, 4, Place Jussieu, case courrier 121, 75252 Paris cedex 05, France. [email protected]

PMID: 21261344 DOI: 10.1063/1.3522878

Abstract

We perform microscopic simulations using the direct simulation Monte Carlo approach to an exothermic chemical wave front of Fisher-Kolmogorov, Petrovsky, Piskunov-type in a one-dimensional gaseous medium. The results confirm the existence of a transition from a weak detonation or deflagration to a Chapman-Jouguet detonation wave, that we already investigated at the macroscopic scale [G. Dumazer et al., Phys. Rev. E 78, 016309 (2008)]. In the domain of weak detonation or deflagration, the discrepancy between the propagation speeds deduced from the simulations and the macroscopic balance equations of hydrodynamics is explained by two microscopic effects, the discretization of the variables, known as cutoff effect, and the departure from local equilibrium. Remarkably, the propagation speed of a Chapman-Jouguet detonation wave is not sensitive to these perturbations of microscopic origin.

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