Related papers: Modeling Concentration Profiles in Electrolytes by…
We study the electro-diffusion properties of a domain containing a cusp-shaped structure in three dimensions when one ionic specie is dominant. The mathematical problem consists in solving the steady-state Poisson-Nernst-Planck (PNP)…
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…
In this paper we propose and analyze a finite difference numerical scheme for the Poisson-Nernst-Planck equation (PNP) system. To understand the energy structure of the PNP model, we make use of the Energetic Variational Approach (EnVarA),…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
In studies of the brain and the nervous system, extracellular signals - as measured by local field potentials (LFPs) or electroencephalography (EEG) - are of capital importance, as they allow to simultaneously obtain data from multiple…
Ion transport through narrow channels is described by the coupled Poisson--Nernst--Planck--Stokes equations (PNPS) on a continuum scale. However, direct numerical simulations in two or three dimensions of boundary value problems for small…
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…
Species transport models typically combine partial differential equations (PDEs) with relations from hindered transport theory to quantify electromigrative, convective, and diffusive transport through complex nanoporous systems; however,…
At mesoscopic scales electrolyte solutions are modeled by the fluctuating generalized Poisson-Nernst-Planck (PNP) equations [J.-P. P\'eraud et al., Phys. Rev. F, 1(7):074103, 2016]. However, at length and time scales larger than the Debye…
We consider a coupled system of Navier-Stokes and Nernst-Planck equations, describing the evolution of the velocity and the concentration fields of dissolved constituents in an electrolyte solution. Motivated by recent applications in the…
A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a BGK collision operator using the lattice Boltzmann method to simulate binary fluid…
The transport and distribution of charged particles are crucial in the study of many physical and biological problems. In this paper, we employ an Energy Variational Approach to derive the coupled Poisson-Nernst-Planck-Navier-Stokes system.…
Ion transport in biological and synthetic nanochannels is characterized by phenomena such as ion current fluctuations and rectification. Recently, it has been demonstrated that nanofabricated synthetic pores can mimic transport properties…
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…
The Nernst-Planck-Navier-Stokes system models electrodiffusion of ions in a fluid. We prove global existence of solutions in bounded domains in three dimensions with either blocking (no-flux) or uniform selective (special Dirichlet)…
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…
This work is concerned with the stationary Poisson--Nernst--Planck equation with a large parameter which describes a huge number of ions occupying an electrolytic region. Firstly, we focus on the model with a single specie of positive…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
This paper presents an efficient finite element iterative method for solving a nonuniform size-modified Poisson-Nernst-Planck ion channel (SMPNPIC) model, along with a SMPNPIC program package that works for an ion channel protein with a…
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…