A scalable DG solver for the electroneutral Nernst-Planck equations

نویسندگان

چکیده

The robust, scalable simulation of flowing electrochemical systems is increasingly important due to the synergy between intermittent renewable energy and technologies such as storage chemical manufacturing. high Péclet regime many applications prevents use off-the-shelf discretization methods. In this work, we present a high-order Discontinuous Galerkin scheme for electroneutral Nernst-Planck equations. chosen charge conservation formulation allows specific treatment different physics: upwinding advection migration, interior penalty diffusion ionic species well electric potential. Similarly, enables treatments in preconditioner: AMG potential blocks ILU-based methods advection-dominated concentration blocks. We evaluate convergence rate through numerical tests. Strong scaling results two preconditioning approaches are shown large 3D flow-plate reactor example.

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A numerical solver of 3D Poisson Nernst Planck equations for functional studies of ion channels

Recent results of X-Ray crystallography have provided important information for functional studies of membrane ion channels based on computer simulations. Because of the large number of atoms that constitute the channel proteins, it is prohibitive to approach functional studies using molecular dynamic methods. To overcome the current computational limit we propose a novel approach based on the ...

متن کامل

Poisson-Nernst-Planck equations in a ball

The Poisson Nernst-Planck equations for charge concentration and electric potential in a ball is a model of electro-diffusion of ions in the head of a neuronal dendritic spine. We study the relaxation and the steady state when an initial charge of ions is injected into the ball. The steady state equation is similar to the Liouville-Gelfand-Bratú-type equation with the difference that the bounda...

متن کامل

Second-order Poisson Nernst-Planck solver for ion channel transport.

The Poisson Nernst-Planck (PNP) theory is a simplified continuum model for a wide variety of chemical, physical and biological applications. Its ability of providing quantitative explanation and increasingly qualitative predictions of experimental measurements has earned itself much recognition in the research community. Numerous computational algorithms have been constructed for the solution o...

متن کامل

A Wasserstein Gradient Flow Approach to Poisson-Nernst-Planck Equations

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...

متن کامل

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,...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Journal of Computational Physics

سال: 2023

ISSN: ['1090-2716', '0021-9991']

DOI: https://doi.org/10.1016/j.jcp.2022.111859