相关论文: A Modified Poisson--Nernst--Planck Model with Excl…

We present the coupled-cluster singles and doubles method formulated in terms of truncated pair-natural orbitals (PNO) that are optimized to minimize the effect of truncation. Compared to the standard ground-state PNO coupled-cluster…

In this work, we study the implementation of electrically-driven flow (EDF) models in the finite-volume framework of $\text{OpenFOAM}^\circledR$. The Poisson-Nernst-Planck model is used for the transport of charged species and it is coupled…

This study investigates the flux ratios of ionic flows using Poisson-Nernst-Planck (PNP) models. The flux ratio measures the effect of permanent charge on the ion fluxes and can exhibit bifurcation, where a small parameter change causes a…

Systems with conserved currents driven by reservoirs at the boundaries offer an opportunity for a general analytic study that is unparalleled in more general out of equilibrium systems. The evolution of coarse-grained variables is governed…

Partial differential equations (PDEs) describing thermodynamically isolated systems typically possess conserved quantities (like mass, momentum, and energy) and dissipated quantities (like entropy). Preserving these conservation and…

In this paper, we consider the 2D stochastic Nernst-Planck-Navier-Stokes equations with transport noise. By assuming the ionic species have the same diffusivity and opposite valences, we prove the global well-posedness of the system.…

This paper is devoted to the homogenization (or upscaling) of a system of partial differential equations describing the non-ideal transport of a N-component electrolyte in a dilute Newtonian solvent through a rigid porous medium. Realistic…

Ion transport, the movement of ions across a cellular membrane, plays a crucial role in a wide variety of biological processes and can be described by the Poisson-Nernst-Planck equations with steric effects (PNP-steric equations). In this…

A class of explicit numerical schemes is developed to solve for the relativistic dynamics and spin of particles in electromagnetic fields, using the Lorentz-BMT equation formulated in the Clifford algebra representation of Baylis. It is…

Complex biological and physical transport processes are often described through systems of interacting particles. Excluded-volume effects on these transport processes are well studied, however the interplay between volume exclusion and…

We introduce a second-order numerical scheme for compressible atmospheric motions at small to planetary scales. The collocated finite volume method treats the advection of mass, momentum, and mass-weighted potential temperature in…

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…

We prove the existence and uniqueness of the complexified Nonlinear Poisson-Boltzmann Equation (nPBE) in a bounded domain in $\mathbb{R}^3$. The nPBE is a model equation in nonlinear electrostatics. The standard convex optimization argument…

We develop a set of numerical schemes for the Poisson--Nernst--Planck equations. We prove that our schemes are mass conservative, uniquely solvable and keep positivity unconditionally. Furthermore, the first-order scheme is proven to be…

We propose and study a fully implicit finite volume scheme for the pressureless Euler-Poisson-Boltzmann equations on the one dimensional torus. Especially, we design a consistent and dissipative discretization of the force term which yields…

We theoretically study electrostatic properties of electric double layer using a generalized Poisson-Boltzmann approach taking into account the orientational ordering of water dipoles and the excluded volume effect of water molecules as…

In the high persistence regime of non-inertial active Brownian particles (ABP), polarization becomes a relevant dynamical field. Based on a recently proposed kinetic description for ABP, we derive Navier-Stokes-like equations for the…

We present a general framework for constructing trans-scale \emph{discrete Boltzmann models} (DBMs) for high-speed compressible flows ranging from continuum to transition regime. This is achieved by designing a higher-order discrete…

Poisson-Boltzmann (PB) theory is the classic approach to soft matter electrostatics which has been applied to numerous problems of physical chemistry and biophysics. Its essential limitations are the neglect of correlation effects and of…

We study the Stokes--Poisson--Boltzmann equations with Dirichlet and Navier boundary conditions. The system consists of the incompressible Stokes equations coupled with a nonlinear Poisson--Boltzmann equation through electrostatic forcing…