Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

David M. Ackerman and James W. Evans
Phys. Rev. E 95, 012132 – Published 19 January 2017

Abstract

We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient Dtr(x), at various positions x within the pore. Dtr(x) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.

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  • Received 13 November 2016

DOI:https://doi.org/10.1103/PhysRevE.95.012132

©2017 American Physical Society

Physics Subject Headings (PhySH)

Statistical Physics & Thermodynamics

Authors & Affiliations

David M. Ackerman1,2 and James W. Evans1,3

  • 1Ames Laboratory—USDOE, Iowa State University, Ames, Iowa 50011, USA
  • 2Department of Mechanical Engineering, Iowa State University, Ames, Iowa 50011, USA
  • 3Department of Physics & Astronomy and Department of Mathematics, Iowa State University, Ames, Iowa 50011, USA

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Issue

Vol. 95, Iss. 1 — January 2017

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