Mesoscopic Multi-Particle Collision Dynamics of Reaction-Diffusion Fronts

K. Tucci; R. Kapral

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Mesoscopic Multi-Particle Collision Dynamics of Reaction-Diffusion Fronts

K. Tucci·R. Kapral

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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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K. Tucci, R. Kapral. 2005-06-29. Mesoscopic Multi-Particle Collision Dynamics of Reaction-Diffusion Fronts. https://arxiv.org/abs/physics/0506216

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