Convergence Analysis of Structure-Preserving Numerical Methods Based on Slotboom Transformation for the Poisson--Nernst--Planck Equations

TL;DR

This paper provides the first optimal convergence analysis for structure-preserving finite difference schemes based on the Slotboom reformulation for the Poisson--Nernst--Planck equations, including error estimates for concentrations, electric potential, and ionic fluxes.

Contribution

It offers the first rigorous convergence analysis of structure-preserving schemes based on Slotboom reformulation for PNP equations, considering various mobility averages and higher order consistency.

Findings

Optimal convergence rates for concentrations, potential, and fluxes are established.

Harmonic mean mobility averaging simplifies analysis while maintaining accuracy.

Numerical results confirm the schemes' accuracy and structure-preserving properties.

Abstract

The analysis of structure-preserving numerical methods for the Poisson--Nernst--Planck (PNP) system has attracted growing interests in recent years. In this work, we provide an optimal rate convergence analysis and error estimate for finite difference schemes based on the Slotboom reformulation. Different options of mobility average at the staggered mesh points are considered in the finite-difference spatial discretization, such as the harmonic mean, geometric mean, arithmetic mean, and entropic mean. A semi-implicit temporal discretization is applied, which in turn results in a non-constant coefficient, positive-definite linear system at each time step. A higher order asymptotic expansion is applied in the consistency analysis, and such a higher order consistency estimate is necessary to control the discrete maximum norm of the concentration variables. In convergence estimate, the harmonic mean for the mobility average, which turns out to bring lots of convenience in the theoretical analysis, is taken for simplicity, while other options of mobility average would also lead to the desired error estimate, with more technical details involved. As a result, an optimal rate convergence analysis on concentrations, electric potential, and ionic fluxes is derived, which is the first such results for the structure-preserving numerical schemes based on the Slotboom reformulation. It is remarked that the convergence analysis leads to a theoretical justification of the conditional energy dissipation analysis, which relies on the maximum norm bounds of the concentration and the gradient of the electric potential. Some numerical results are also presented to demonstrate the accuracy and structure-preserving performance of the associated schemes.