Molecular-dynamics simulations and master-equation description of a chemical wave front: effects of density and size of reaction zone on propagation speed.
We compare the master-equation description and molecular-dynamics simulations of a chemical wave front. We find that the front propagation speed depends on the number of particles in the reaction zone. For the master equation the dependence follows the well-known logarithmic prediction obtained when introducing a cutoff into the macroscopic reaction-diffusion equation. The molecular-dynamics simulations reveal that the logarithmic law is compromised for dense fluids.
Hansen
J S
JS
Laboratoire de Physique Théorique de la Matière Condensée, CNRS UMR 7600, Université Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex 05, France.
Nowakowski
B
B
Lemarchand
A
A