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Traditional electrostatic simulation are meshed-based methods which convert partial differential equations into an algebraic system of equations and their solutions are approximated through numerical methods. These methods are time…

Machine Learning · Computer Science 2024-12-03 Kart-Leong Lim , Rahul Dutta , Mihai Rotaru

The main goal of this work is to examine the qualitative effect of ion sizes via a steady-state boundary value problem. We study a one-dimensional version of a Poisson-Nernst-Planck system with a local hard-sphere potential model for ionic…

Mathematical Physics · Physics 2022-03-18 Weishi Liu , Hamid Mofidi

The Nernst-Planck-Stokes (NPS) system models electroconvection of ions in a fluid. We consider the system, for two oppositely charged ionic species, on three dimensional bounded domains with Dirichlet boundary conditions for the ionic…

Analysis of PDEs · Mathematics 2023-01-06 Fizay-Noah Lee

The model reduction of a mesoscopic kinetic dynamics to a macroscopic continuum dynamics has been one of the fundamental questions in mathematical physics since Hilbert's time. In this paper, we consider a diagram of the diffusion limit…

Numerical Analysis · Mathematics 2020-09-29 Jae Yong Lee , Jin Woo Jang , Hyung Ju Hwang

In this article we propose and investigate a hierarchy of mathematical models based on partial differential equations (PDE) and ordinary differential equations (ODE) for the simulation of the biophysical phenomena occurring in the…

Numerical Analysis · Mathematics 2016-01-20 Emanuela Abbate , Matteo Porro , Thierry Nieus , Riccardo Sacco

We develop a modified Poisson-Nernst-Planck model which includes both the long-range Coulomb and short-range hard-sphere correlations in its free energy functional such that the model can accurately describe the ion transport in complex…

Computational Physics · Physics 2021-05-21 Manman Ma , Zhenli Xu , Liwei Zhang

We consider ionic electrodiffusion in fluids, described by the Nernst-Planck-Navier-Stokes system in bounded domains, in two dimensions, with Dirichlet boundary conditions for the Navier-Stokes and Poisson equations, and blocking (vanishing…

Analysis of PDEs · Mathematics 2018-12-26 Peter Constantin , Mihaela Ignatova

Physics-informed neural networks (PINNs) have emerged as a promising numerical method based on deep learning for modeling boundary value problems, showcasing promising results in various fields. In this work, we use PINNs to discretize…

Computational Physics · Physics 2024-06-10 Michel Nohra , Steven Dufour

Asymmetric valences in a binary electrolyte can significantly affect the performance of systems such as reverse electrodialysis cells, batteries, and supercapacitors. To generate a theoretical understanding of this effect, we consider a…

Chemical Physics · Physics 2026-05-05 Georgina C. Ryan , Mohit P. Dalwadi , Ian M. Griffiths

Numerous polluted groundwater sites across the globe require an active remediation strategy to restore natural environmental conditions and local ecosystem. The Engineered Nano-particles (ENPs) have emerged as an efficient reactive agent…

Machine Learning · Computer Science 2022-11-08 Shikhar Nilabh , Fidel Grandia

This is an early but comprehensive review of the PNP Poisson Nernst Planck theory of ion channels. Extensive reference is made to the earlier literature. The starting place for this theory of open channels is a theory of electrodiffusion…

Biomolecules · Quantitative Biology 2010-09-16 Bob Eisenberg

The extracellular space has an ambiguous role in neuroscience. It is present in every physiologically relevant system and often used as a measurement site in experimental recordings, but it has received subordinate attention compared to the…

Neurons and Cognition · Quantitative Biology 2017-05-02 Jurgis Pods

Mathematical models for excitable cells are commonly based on cable theory, which considers a homogenized domain and spatially constant ionic concentrations. Although such models provide valuable insight, the effect of altered ion…

Computational Engineering, Finance, and Science · Computer Science 2019-11-11 A. J. Ellingsrud , A. Solbrå , G. T. Einevoll , G. Halnes , M. E. Rognes

We consider in this paper random batch interacting particle methods for solving the Poisson-Nernst-Planck (PNP) equations, and thus the Poisson-Boltzmann (PB) equation as the equilibrium, in the external unbounded domain. To justify the…

Numerical Analysis · Mathematics 2022-03-25 Lei Li , Jian-Guo Liu , Yijia Tang

In this article, we propose and analyze a fully coupled, nonlinear, and energy-stable virtual element method (VEM) for solving the coupled Poisson-Nernst-Planck (PNP) and Navier--Stokes (NS) equations modeling microfluidic and…

Numerical Analysis · Mathematics 2023-06-27 Mehdi Dehghan , Zeinab Gharibi , Ricardo Ruiz-Baier

We consider ionic electrodiffusion in fluids, described by the Nernst-Planck-Navier-Stokes system. We prove that the system has global smooth solutions for arbitrary smooth data: arbitrary positive Dirichlet boundary conditions for the…

Analysis of PDEs · Mathematics 2021-05-05 Peter Constantin , Mihaela Ignatova , Fizay-Noah Lee

Recently, energetic variational approach was employed to derive models for non-isothermal electrokinetics by Liu et. al \cite{Liu-Wu-Liu-CMS2018}. In particular, the Poisson-Nernst-Planck-Fourier (PNPF) system for the dynamics of $N$-ionic…

Analysis of PDEs · Mathematics 2021-07-05 Ning Jiang , Yi-Long Luo , Xu Zhang

Characterizing the local voltage distribution within nanophysiological domains, driven by ionic currents through membrane channels, is crucial for studying cellular activity in modern biophysics, yet it presents significant experimental and…

Soft Condensed Matter · Physics 2026-05-14 Frédéric Paquin-Lefebvre , Alejandro Barea Moreno , David Holcman

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

A model for the current-voltage characteristic of the junction between an Ion-Sensitive-Membrane and an electrolyte solution is derived and compared with numerical simulations of the Poisson-Nernst-Planck model for ion transport. The…

Chemical Physics · Physics 2024-09-18 Leandro Julian Mele , Muhammad Ashraful Alam , Pierpaolo Palestri