We consider the trajectories of particles diffusing between two infinite baths of fixed concentrations connected by a channel, e.g., a protein channel of a biological membrane. The steady state influx and efflux of Langevin trajectories at the boundaries of a finite volume containing the channel and parts of the two baths is replicated by termination of outgoing trajectories and injection according to a residual phase space density. We present a simulation scheme that maintains averaged fixed concentrations without creating spurious boundary layers, consistent with the assumed physics.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)