Publication Date

6-2020

Department

Ames Laboratory; Physics and Astronomy; Mathematics

Campus Units

Ames Laboratory, Physics and Astronomy, Mathematics

OSTI ID+

1633316

Report Number

IS-J 10242

DOI

10.1103/PhysRevE.101.062103

Journal Title

Physical Review E

Volume Number

101

Issue Number

6

First Page

062103

Abstract

Single-file diffusion (SFD) in finite open nanopores is characterized by nonzero spatially varying tracer diffusion coefficients within a generalized hydrodynamic description. This contrasts with infinite SFD systems where tracer diffusivity vanishes. In standard tracer counterpermeation (TCP) analysis, two reservoirs, each containing a different species, are connected to opposite ends of a finite pore. We implement an extended TCP analysis to allow the two reservoirs to contain slightly different mixtures of the two species. Then, determination of diffusion fluxes through the pore allows extraction of diffusion coefficients for near-constant partial concentrations of the two species. This analysis is applied for a lattice-gas model describing two-component SFD through a finite linear pore represented by a one-dimensional array of cells. Two types of particles, A and B, can hop only to adjacent empty cells with generally different rates, hA and hB. Particles are noninteracting other than exclusion of multiple cell occupancy. Results reveal generalized hydrodynamic tracer diffusion coefficients which adopt small values inversely proportional to pore length in the pore center, but which are strongly enhanced near pore openings.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Publisher

Iowa State University Digital Repository, Ames IA (United States)

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