title: Generalized method calculating the effective diffusion coefficient in periodic channels.
abstract: The method calculating the effective diffusion coefficient in an arbitrary periodic two-dimensional channel, presented in our previous paper [P. Kalinay, J. Chem. Phys. 141, 144101 (2014)], is generalized to 3D channels of cylindrical symmetry, as well as to 2D or 3D channels with particles driven by a constant longitudinal external driving force. The next possible extensions are also indicated. The former calculation was based on calculus in the complex plane, suitable for the stationary diffusion in 2D domains. The method is reformulated here using standard tools of functional analysis, enabling the generalization.
authors.affiliation: Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, 84511 Bratislava, Slovakia.
authors.forename: Pavol
authors.initials: P
authors.lastname: Kalinay
mesh_terms: D000465:Algorithms; D004058:Diffusion; D056004:Molecular Dynamics Simulation