Microscopic simulations of an exothermic chemical wave front: departure from the continuity equations.
We perform microscopic simulations of a reactive dilute gas and study the propagation of an exothermic chemical wave front in an infinite, one-dimensional medium. The simulation results concerning front propagation speed and concentrations, temperature and stream velocity profiles are compared with the results of the integration of the macroscopic continuity equations in the case of fast reactions. The discrepancies between the two approaches are related to a chemically induced departure from local equilibrium.
Hansen
J S
JS
Université Pierre et Marie Curie-Paris 6, UMR 7600, Paris, F-75005 France.
Nowakowski
B
B
Lemarchand
A
A