A reduced model for shock and detonation waves. II. The reactive caseJ. B. Maillet1, L. Soulard1 and G. Stoltz1, 2
1 CEA/DAM Ile-de-France - BP 12, 91680 Bruyères-le-Châtel, France
2 CERMICS, Ecole Nationale des Ponts et Chaussées (ParisTech) 6 & 8 Av. Pascal, 77455 Champs-sur-Marne, France
received 9 January 2007; accepted in final form 30 April 2007; published June 2007
published online 22 May 2007
We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. STOLTZ, Europhys. Lett., 76 (2006) 849. A complex molecule (or a group of molecules) is replaced by a single mesoparticle, evolving according to some Dissipative Particle Dynamics. Chemical reactions can be handled in a mean way by considering an additional variable per particle describing the progress of the reaction. The evolution of the progress variable is governed by the kinetics of a reversible exothermic reaction. Numerical results give profiles in qualitative agreement with all-atom studies.
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.
© Europhysics Letters Association 2007