Adaptive time-stepping schemes for the solution of the Poisson-Nernst-Planck equations
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PDEs in connection with optics and electromagnetic theory (35Q60) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Mesh generation, refinement, and adaptive methods for the numerical solution of initial value and initial-boundary value problems involving PDEs (65M50) Electrochemistry (78A57)
Abstract: The Poisson-Nernst-Planck equations with generalized Frumkin-Butler-Volmer boundary conditions (PNP-FBV) describe ion transport with Faradaic reactions, and have applications in a number of fields. In this article, we develop an adaptive time-stepping scheme for the solution of the PNP-FBV equations based on two time-stepping methods: a fully implicit (BDF2) method, and an implicit-explicit (SBDF2) method. We present simulations under both current and voltage boundary conditions and demonstrate the ability to simulate a large range of parameters, including any value of the singular perturbation parameter . When the underlying dynamics is one that would have the solutions converge to a steady-state solution, we observe that the adaptive time-stepper based on the SBDF2 method produces solutions that ``nearly converge to the steady state and that, simultaneously, the time-step sizes stabilize to a limiting size . In the companion to this article cite{YPD_Part2}, we linearize the SBDF2 scheme about the steady-state solution and demonstrate that the linearized scheme is conditionally stable. This conditional stability is the cause of the adaptive time-stepper's behaviour. While the adaptive time-stepper based on the fully-implicit (BDF2) method is not subject to such time-step constraints, the required nonlinear solve yields run times that are significantly longer.
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Cited in
(4)- A study of the numerical stability of an ImEx scheme with application to the Poisson-Nernst-Planck equations
- A multi-scale simulation of retinal physiology
- Adaptive finite element approximation for steady-state Poisson-Nernst-Planck equations
- Convergence and superconvergence analysis for a mass conservative, energy stable and linearized BDF2 scheme of the Poisson-Nernst-Planck equations
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