2005/06/29 by K. Tucci, Raymond Kapral, Tucci, K. +1
Mathematics · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Opinion Dynamics and Social Influence #Stochastic processes and statistical mechanics #Theoretical and Computational Physics
paper · pdf · doi:10.48550/arxiv.physics/0506216
openalex publication_date 2005/06/29 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.