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Paper detail

Mesoscopic Multi-Particle Collision Dynamics of Reaction-Diffusion Fronts

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.

preprint2005arXivOpen access
K. TucciR. Kapral
physics.comp-phphysics.chem-ph
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K. TucciR. Kapral

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