Mesoscopic multiparticle collision dynamics of reaction-diffusion fronts.

نویسندگان

  • Kay Tucci
  • Raymond Kapral
چکیده

A mesoscopic multiparticle 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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عنوان ژورنال:
  • The journal of physical chemistry. B

دوره 109 45  شماره 

صفحات  -

تاریخ انتشار 2005