title: Langevin trajectories between fixed concentrations.
abstract: 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.
authors.affiliation: Department of Mathematics, Yale University, 10 Hillhouse Avenue P.O. Box 208283, New Haven, Connecticut 06520-8283, USA.
authors.forename: B
authors.initials: B
authors.lastname: Nadler
authors.forename: Z
authors.initials: Z
authors.lastname: Schuss
authors.forename: A
authors.initials: A
authors.lastname: Singer
mesh_terms: D001703:Biophysics / Q000379:methods*; D003198:Computer Simulation; D004058:Diffusion; D007473:Ion Channels / Q000737:chemistry; D008390:Markov Chains; D008566:Membranes / Q000378:metabolism; D008954:Models, Biological; D015233:Models, Statistical; D010825:Physics / Q000379:methods; D013816:Thermodynamics
chemical_list: D007473:Ion Channels