A scalable DG solver for the electroneutral Nernst-Planck equations

The robust, scalable simulation of flowing electrochemical systems is increasingly important due to the synergy between intermittent renewable energy and electrochemical technologies such as energy storage and chemical manufacturing. The high Péclet regime of many such applications prevents the use...

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Bibliographic Details
Published in:Journal of computational physics 2023-02, Vol.475, p.111859, Article 111859
Main Authors: Roy, Thomas, Andrej, Julian, Beck, Victor A.
Format: Article
Language:English
Subjects:
Discontinuous Galerkin
Electrochemical flow
Electroneutrality
Nernst-Planck
Preconditioning
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Summary:The robust, scalable simulation of flowing electrochemical systems is increasingly important due to the synergy between intermittent renewable energy and electrochemical technologies such as energy storage and chemical manufacturing. The high Péclet regime of many such applications prevents the use of off-the-shelf discretization methods. In this work, we present a high-order Discontinuous Galerkin scheme for the electroneutral Nernst-Planck equations. The chosen charge conservation formulation allows for the specific treatment of the different physics: upwinding for advection and migration, and interior penalty for diffusion of ionic species as well the electric potential. Similarly, the formulation enables different treatments in the preconditioner: AMG for the potential blocks and ILU-based methods for the advection-dominated concentration blocks. We evaluate the convergence rate of the discretization scheme through numerical tests. Strong scaling results for two preconditioning approaches are shown for a large 3D flow-plate reactor example. •Discontinuous Galerkin penalization requires a charge-conservation formulation.•Upwinding is used for the combined advection-migration term of the governing PDEs.•Numerical tests exhibit the expected high-order convergence of the proposed scheme.•Block preconditioners employ multigrid and domain decomposition strategies.•Good strong scaling is observed for a large 3D flow plate reactor simulation.
ISSN:0021-9991
1090-2716
DOI:10.1016/j.jcp.2022.111859