Abstract
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.
| Original language | English |
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| Article number | 68001 |
| Journal | EPL |
| Volume | 78 |
| Issue number | 6 |
| DOIs | |
| Publication status | Published - 1 Jun 2007 |