WIAS Preprint No. 2526, (2018)

Transport of solvated ions in nanopores: Asymptotic models and numerical study


Authors

  • Fuhrmann, Jürgen
    ORCID: 0000-0003-4432-2434
  • Guhlke, Clemens
  • Matejczyk, Bartlomiej
  • Müller, Rüdiger
    ORCID: 0000-0003-2643-722X

2010 Mathematics Subject Classification

  • 35C20 65-05 78A57

Keywords

  • Nanopore, electro-thermodynamics, ion transport, finite ion size, solvation

DOI

10.20347/WIAS.PREPRINT.2526

Abstract

Improved Poisson--Nernst--Planck systems taking into account finite ion size and solvation effects provide a more accurate model of electric double layers compared to the classical setting. We introduce and discuss several variants of such improved models. %Based on spatially fully resolved numerical models We study the effect of improved modeling in large aspect ratio nanopores. Moreover, we derive approximate asymptotic models for the improved Poisson--Nernst--Planck systems which can be reduced to one-dimensional systems. In a numerical study, we compare simulation results obtained from solution of the asymptotic 1D-models with those obtained by discretization of the full resolution models.

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