A reduced model for shock and detonation waves. II. The reactive case

Abstract

We present a mesoscopic model for reactive shock waves, which extends a previous 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 a rate of reaction. The evolution of this rate is governed by the kinetics of a reversible exothermic reaction. Numerical results give profiles in qualitative agreement with all-atom studies.

References in corpus (3)

• Dissipative Particle Dynamics with energy conservation
• Dissipative Particle Dynamics with Energy Conservation
• A reduced model for shock and detonation waves. I. The inert case

Cited by in corpus (5)

• Mesodynamics with implicit degrees for freedom
• Stable schemes for dissipative particle dynamics with conserved energy
• New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy Conservation
• Size consistency in Smoothed Dissipative Particle Dynamics
• Molecular Dynamics Simulations of Weak Detonations