Multiscale modeling of a rectifying bipolar nanopore: Comparing Poisson-Nernst-Planck to Monte Carlo
نویسندگان
چکیده
منابع مشابه
Poisson-Boltzmann-Nernst-Planck model.
The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems,...
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The Poisson-Nernst-Planck system of equations used to model ionic transport is interpreted as a gradient flow for the Wasserstein distance and a free energy in the space of probability measures with finite second moment. A variational scheme is then set up and is the starting point of the construction of global weak solutions in a unified framework for the cases of both linear and nonlinear dif...
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The conventional Poisson-Nernst-Planck equations do not account for the finite size of ions explicitly. This leads to solutions featuring unrealistically high ionic concentrations in the regions subject to external potentials, in particular, near highly charged surfaces. A modified form of the Poisson-Nernst-Planck equations accounts for steric effects and results in solutions with finite ion c...
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The recent Perspectives on Ion Permeation have brought the debate about the applicability of the Poisson-Nernst-Planck (PNP) theory in ion channels to a sharp focus. Despite the differences in opinion, all sides of the debate agree that the mean field approximation in PNP theory needs to be checked by comparison with a more accurate theory; e.g., Brownian dynamics (BD). Clearly, for such a test...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2017
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4978942