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)
