Mesoscopic Multi-Particle Collision Dynamics of Reaction-Diffusion Fronts
Autores: K. Tucci, R. Kapral
Referencia:
Journal of Physical Chemistry B, 109, 21300 - 21304, (2005)
Abstract
A mesoscopic multi-particle collision model for fluid
dynamics is generalized to incorporate the chemical reactions
among species that may diffuse at different rates. This
generalization provides a means to simulate reaction-diffusion
dynamics of complex reactive systems. The method is
illustrated by a study of cubic autocatalytic fronts.
The mesoscopic scheme is able to reproduce the results of
reaction-diffusion descriptions under conditions where the
mean field equations are valid. The model is also able to
incorporate the effects of molecular fluctuations on the
reactive dynamics.
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