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Article
A conservative finite difference scheme for Poisson–Nernst–Planck equations
Journal of Computational Electronics
  • Allen Flavell, Illinois Institute of Technology
  • Michael Machen, University of Notre Dame, Illinois Institute of Technology
  • Bob Eisenberg, Rush Medical Center
  • Julienne Kabre, Illinois Institute of Technology
  • Chun Liu, Pennsylvania State University
  • Xiaofan Li, Illinois Institute of Technology
Document Type
Article
Publication Date
1-1-2014
Keywords
  • Electrodiffusion,
  • Finite difference,
  • Ion channel modeling,
  • Poisson–Nernst–Planck equations
Disciplines
Abstract

A macroscopic model to describe the dynamics of ion transport in ion channels is the Poisson–Nernst–Planck (PNP) equations. In this paper, we develop a finite-difference method for solving PNP equations, second-order accurate in both space and time. We use the physical parameters specifically suited toward the modeling of ion channels. We present a simple iterative scheme to solve the system of nonlinear equations resulting from discretizing the equations implicitly in time, which is demonstrated to converge in a few iterations. We place emphasis on ensuring numerical methods to have the same physical properties that the PNP equations themselves also possess, namely conservation of total ions, correct rates of energy dissipation, and positivity of the ion concentrations. We describe in detail an approach to derive a finite-difference method that preserves the total concentration of ions exactly in time. In addition, we find a set of sufficient conditions on the step sizes of the numerical method that assure positivity of the ion concentrations. Further, we illustrate that, using realistic values of the physical parameters, the conservation property is critical in obtaining correct numerical solutions over long time scales.

Comments

X. Li is partially supported by the NSF grant DMS-0914923 and C. Liu is partially supported by the NSF grants DMS-1109107, DMS-1216938 and DMS-1159937.

Additional Comments
Copyright © 2013, Springer Science Business Media New York
ORCID ID
0000-0001-7817-4308
DOI
10.1007/s10825-013-0506-3
Citation Information
Allen Flavell, Michael Machen, Bob Eisenberg, Julienne Kabre, et al.. "A conservative finite difference scheme for Poisson–Nernst–Planck equations" Journal of Computational Electronics Vol. 13 (2014) p. 235 - 249 ISSN: 1569-8025
Available at: http://works.bepress.com/julienne-kabre/2/