Lattice kinetic Monte Carlo simulations of convective-diffusive systems.

摘要: Diverse phenomena in physical, chemical, and biological systems exhibit significant stochasticity therefore require appropriate simulations that incorporate noise explicitly into the dynamics. We present a lattice kinetic Monte Carlo approach to simulate trajectories of tracer particles within system which both diffusive convective transports are operational. While transport is readily accounted for simulation, we demonstrate inclusion bulk convection by simply biasing rate diffusion with creates unphysical, shocklike behavior concentrated due particle pile up. report elimination requires proper passing blocked rates along nearest-neighbor chains first available direction flow. The resulting algorithm was validated Taylor–Aris dispersion parallel plate flow multidimensional flows. This generally applicable simulation convection-diffusion will allow field-driven drift addition diffusion.