相关论文: Test-charge theory for the electric double layer

Attaining accurate average structural properties in a molecular simulation should be considered a prerequisite if one aims to elicit meaningful insights into a system's behavior. For charged surfaces in contact with an electrolyte solution,…

Charged surfaces in contact with liquids containing ions are accompanied in equilibrium by an electric double layer consisting of a layer of electric charge on the surface that is screened by a diffuse ion cloud in the bulk fluid. This…

The contact value of the charge profile for nonsymmetrical electrolytes is presented as the sum of three contributions. One of them is the normal component of the Maxwell electrostatic stress tensor. The second one is the surface…

We recently questioned the treatment of a dust particle as a perfect absorber for electrons and ions and proposed a surface model for the charge of a dust particle in a quiescent plasma which combines the microscopic physics at the grain…

Mean-field theory is used to model polyelectrolyte adsorption and the possibility of overcompensation of charged surfaces. For charged surfaces that are also chemically attractive, the overcharging is large in high salt conditions,…

Realistic charged macromolecules are characterized by discrete (rather than homogeneous) charge distributions. We investigate the effects of surface charge discretization on the counterion distribution at the level of mean-field theory…

A study of the relation between the electrostatic charge density at a point on a conducting surface and the curvature of the surface (at that point) is presented. Two major scientific literature on this topic are reviewed and the apparent…

The unified 3D phase-field model for the description of the lithium-ion cell as a whole is developed. The model takes into account the realistic distribution of particles in porous electrodes, percolative transport of ions, and the…

Near-critical binary mixtures containing ionic solutes near a charged wall preferentially adsorbing one component of the solvent are studied. Within the Landau-Ginzburg approach extended to include electrostatic interactions and the…

We re-examine a familiar problem given in introductory physics courses, about determining the induced charge distribution on an uncharged ``infinitely-large'' conducting plate when placing parallel to it a uniform charged dielectric plate…

In the present work, we study an electrolyte solution confined between planar surfaces with nonopatterned charged domains, which has been connected to a bulk ionic reservoir. The system is investigated through an improved Monte Carlo (MC)…

The electrical double layer at infinite flat solid surface was discussed with respect to the triple layer model. Charge density at the outer Helmholtz plane is assumed to be zero usually. However, the assumption causes the position of the…

We study how a neutralising cloud of counterions screens the electric field of a uniformly charged planar membrane plate, when the counterions are characterised by a distribution of charges (or valence), $n(q)$. We work out analytically the…

We present the first application of phase field modeling to electrochemistry. A free energy functional that includes the electrostatic effect of charged particles leads to rich interactions between concentration, electrostatic potential,…

The adsorption of highly \textit{oppositely} charged flexible polyelectrolytes onto a charged spherical surface is investigated by means of Monte Carlo simulations in a fashion which resembles the layer-by-layer deposition technique…

We study equilibrium statistical mechanics of classical point counter-ions, formulated on 2D Euclidean space with logarithmic Coulomb interactions (infinite number of particles) or on the cylinder surface (finite particle numbers), in the…

Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…

The structure of the double-layer formed at the surface of carbon electrodes is governed by the interactions between the electrode and the electrolyte species. However, carbon is notoriously difficult to simulate accurately, even with…

Current-free double layers of the type reported in plasmas in the presence of an expanding magnetic field [C. Charles and R. W. Boswell, Appl. Phys. Lett. 82, 1356 (2003)] are modeled theoretically and with particle-in-cell/Monte Carlo…

In this paper we develop a simple theory to study the effects of ionic size on ionic distributions around a charged spherical particle. We include a correction to the regular Poisson-Boltzmann equation in order to take into account the size…