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Showing 1 to 15 of 15 for “"Poisson-Nernst-Planck"”.
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A Dynamical Study of the Poisson-Nernst-Planck System for Three Ions
… to another. The one-dimensional steady-state Poisson-Nernst-Planck (PNP) system is a useful representation of these devices, but experience shows that describing the reservoirs as boundary conditions is difficult. We study the PNP system for three types of ions with three regions of piecewise …
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Steady-State Poisson-Nernst-Planck Systems: Asymptotic expansions and applications to ion channels
… ion channels can be described by a steady state Poisson-Nernst-Plank system for electrodiffusion. The solution to the PNP system gives a relation between the current and electric potential of the ions in the channel, called the I-V curve. In this thesis, we will discuss the matched asymptotic …
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A study of electrochemical transport and diffuse charge dynamics using a Langevin equation
… have included continuum models based on the Poisson-Nernst-Planck equations and atomic simulations using molecular dynamics algorithms. Neither of them is easy to use or conducive to electrokinetic transport modeling in strong confinement or over long time scales. This work introduces a new …
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A study of electrochemical transport and diffuse charge dynamics in nanoscale devices using a Langevin equation
… have included continuum models based on the Poisson-Nernst-Planck equations and atomic simulations using molecular dynamics algorithms. Neither of them is easy to use or conducive to electrokinetic transport modeling in strong confinement or over long time scales. This work introduces a new …
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Nonlinear Electrokinetic Flow near Permselective Membrane
… methods were developed to solve for the Poisson-Nernst-Planck-Navier-Stokes equations. It was demonstrated that, under a significantly high electric field, an electroconvective instability occurs near the membrane surface. In quiescent electrolyte, the instability induces strong paired …
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Mathematical Modeling of Microscale Biology in Polyelectrolyte Brushes
… brushes using both steady state modified Poisson-Boltzmann models and transient modified Poisson-Nernst-Planck models that incorporate important ion-specific (Hofmeister) effects. The transient model enables observation of the relative physical effects as an initial non-equilibrium state …
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Modeling process dynamics in membrane-electrolyte-assemblies of chloralkali electrolyzers considering steric and hydration effects
… the formulated model consists of the generalized Poisson-Nernst-Planck equation system coupled with the momentum balance. By considering the appropriate boundary conditions and mechanical equilibrium assumption, the model is then reduced into a 1-D modeling problem consisting of the generalized …
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Nonlinear electrokinetic transport and its applications under combined AC and DC fields in micro/nanofluidic interface devices
… detailed numerical simulations based on coupled Poisson, Nernst−Planck, and incompressible Navier−Stokes equations, we discuss the electrokinetic transport and other hydrodynamic effects under the application of combined AC and DC electric fields for different nondimensional EDL thickness and …
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Study of Biological Ion Channels by Using PNP/ECP Model
… to the device engineering community. The Poisson-Nernst-Planck (PNP) theory, also known as drift-diffusion theory, can be used to compute macroscopic current in ion channels reasonably quickly. However, PNP theory can be problematic when applied to regions of constricted volume, such as …
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Finite element methods for implicit solvent models
… and are thus computationally efficient. The Poisson-Boltzmann equation (PBE) is one important example. We design a FEM for the linear PBE by directly exposing the flux through a first-order system. We propose a system that yields a tractable least-squares finite element formulation and …
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Experimental study and modeling analysis of ion transport membranes for methane partial oxidation and oxyfuel combustion
… diffusion is modeled using the dilute-limit Poisson-Nernst-Planck formulation that accounts for transport due to concentration gradient as well as electromigration. We use the experimental data to extract kinetic parameters of the model. We couple the aforementioned model with CFD of the …
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Computational analyses on the structure-function relation in ion channels
… is analyzed, by an approach based on the Poisson-Nernst-Planck electrodiffusion theory. In the electrodiffusion theory ion conduction is modeled by the drift-diffusion equations, thus describing the ion distributions by continuum functions. The numerical solver of the Poisson- …
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Numerical investigation of ion transport mechanisms in electrochemical energy storage devices: Similarity correlation and exergy destruction analysis
… multi-species RFB model using homogenized Poisson-Nernst-Planck formulation with hydrodynamic dispersion in porous media for the species transport. The RFBs modeled here can use either cost-effective non-selective separators or crossover reducing ion-exchange membranes. We also introduce …
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Nonlinear electrokinetics of the bacterial cell envelope for applications in biomicrofluidics
… appendage (soft layer) properties. Using the Poisson-Nernst-Planck equations for ion transport and Stokes equation for fluid flow, we model the electric double layer polarization within and outside the soft layers to calculate the polarizability for these two strains. Firstly, we demonstrate …
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Effects of hydrogen uptake and yttrium doping on the oxidation of zirconium-yttrium alloys
… kinetics fit from the weight gain data, the Poisson-Nernst-Planck (PNP) system of differential equations was solved using Multiphysics Object Oriented Simulation Environment (MOOSE); the PNP system describes a space charge controlled oxidation model. These computations were performed by …