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      Asymptotic models for transport in large aspect ratio nanopores

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          Abstract

          Ion flow in charged nanopores is strongly influenced by the ratio of the Debye length to the pore radius. We investigate the asymptotic behaviour of solutions to the Poisson-Nernst-Planck (PNP) system in narrow pore like geometries and study the influence of the pore geometry and surface charge on ion transport. The physical properties of real pores motivate the investigation of distinguished asymptotic limits, in which either the Debye length and pore radius are comparable or the pore length is very much greater than its radius. This results in a Quasi-1D PNP model which can be further simplified, in the physically relevant limit of strong pore wall surface charge, to a fully one-dimensional model. Favourable comparison is made to the two-dimensional PNP equations in typical pore geometries. It is also shown that, for physically realistic parameters, the standard 1D Area Averaged PNP model for ion flow through a pore is a very poor approximation to the (real) two-dimensional solution to the PNP equations. This leads us to propose that the Quasi-1D PNP model derived here, whose computational cost is significantly less than two-dimensional solution of the PNP equations, should replace the use of the 1D Area Averaged PNP equations as a tool to investigate ion and current flows in ion pores.

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          A self-consistent iterative scheme for one-dimensional steady state transistor calculations

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            Coupling Poisson Nernst Planck and density functional theory to calculate ion flux

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              Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus brownian dynamics.

              We test the validity of the mean-field approximation in Poisson-Nernst-Planck theory by contrasting its predictions with those of Brownian dynamics simulations in schematic cylindrical channels and in a realistic potassium channel. Equivalence of the two theories in bulk situations is demonstrated in a control study. In simple cylindrical channels, considerable differences are found between the two theories with regard to the concentration profiles in the channel and its conductance properties. These differences are at a maximum in narrow channels with a radius smaller than the Debye length and diminish with increasing radius. Convergence occurs when the channel radius is over 2 Debye lengths. These tests unequivocally demonstrate that the mean-field approximation in the Poisson-Nernst-Planck theory breaks down in narrow ion channels that have radii smaller than the Debye length.
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                Author and article information

                Journal
                02 January 2018
                Article
                1801.00836
                59f4df7d-b304-4e92-9159-4d1b1aad2aa4

                http://arxiv.org/licenses/nonexclusive-distrib/1.0/

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                math.AP cond-mat.soft math.NA

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