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The work reviews on a general level various modified Poisson-Boltzmann equations and demonstrates their use on the specific system of charged particles at an interface. This system is special, first, because it exhibits the long-range…

Soft Condensed Matter · Physics 2012-11-14 Derek Frydel , Martin Oettel

The interaction between two chemically identical charge-regulated surfaces is studied using the classical density functional theory. In contrast to common expectations and assumptions, under certain realistic conditions we find a…

Soft Condensed Matter · Physics 2018-02-26 Arghya Majee , Markus Bier , Rudolf Podgornik

The Poisson-Boltzmann mean-field description of ionic solutions has been successfully used in predicting charge distributions and interactions between charged macromolecules. While the electrostatic model of charged fluids, on which the…

Soft Condensed Matter · Physics 2014-04-22 Dan Ben-Yaakov , David Andelman , Daniel Harries , Rudi Podgornik

The ab-initio computational treatment of electrochemical systems requires an appropriate treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface is computationally demanding due to the large number of…

Image charge effect is a fundamental problem in electrostatics. However, a proper treatment at the continuum level for many-ion systems, such as electrolyte solutions or ionic liquids, remains an open theoretical question. Here, we…

Soft Condensed Matter · Physics 2024-10-23 Tingtao Zhou , Dorian Bruch , Zhen-Gang Wang

A general relativistic model of a parallel-plate electrostatic capacitor is presented. The spacetime is a solution to the Einstein--Maxwell equations and involves class of solution previously studied by Vesel\'{y} and \v{Z}ofka (V\v{Z}). In…

General Relativity and Quantum Cosmology · Physics 2023-06-05 Ian Khai-Shuen Ng , Wei Zheng Choo , Yen-Kheng Lim

We explore the effect of steric interaction on the ionic density distribution near a charged hard wall. For weakly charged walls, small particles, and monovalent ions the mean-field Poisson-Boltzmann equation provides an excellent…

Soft Condensed Matter · Physics 2015-06-05 Derek Frydel , Yan Levin

Motivated by the numerical investigation by Aoki et al. [1], we study a rarefied gas flow between two parallel infinite plates of the same temperature governed by the Boltzmann equation with diffuse reflection boundaries, where one plate is…

Analysis of PDEs · Mathematics 2024-12-02 Renjun Duan , Zhu Zhang

We calculate phase diagrams of charged colloidal spheres (valency $Z$ and radius $a$) in a 1:1 electrolyte from multi-centered nonlinear Poisson-Boltzmann theory. Our theory takes into account charge-renormalization of the colloidal…

Soft Condensed Matter · Physics 2007-05-23 Bas Zoetekouw , Rene van Roij

In this paper we propose a nonlinear elasticity model of macromolecular conformational change (deformation) induced by electrostatic forces generated by an implicit solvation model. The Poisson-Boltzmann equation for the electrostatic…

Analysis of PDEs · Mathematics 2010-01-12 Yongcheng Zhou , Michael Holst , James Andrew McCammon

In the study of colloidal, biological and electrochemical systems, it is customary to treat surfaces, macromolecules and electrodes as homogeneously charged. This simplified approach is proven successful in most cases, but fails to describe…

Soft Condensed Matter · Physics 2022-08-04 Ram M. Adar , David Andelman , Haim Diamant

We consider the nonlinear Neumann problem for fully nonlinear elliptic PDEs on a quadrant. We establish a comparison theorem for viscosity sub and supersolutions of the nonlinear Neumann problem. The crucial argument in the proof of the…

Analysis of PDEs · Mathematics 2021-08-31 Hitoshi Ishii , Taiga Kumagai

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into…

Materials Science · Physics 2016-01-20 G. Fisicaro , L. Genovese , O. Andreussi , N. Marzari , S. Goedecker

Porous electrodes are widely used in electrochemical systems, where accurately determining electric potentials, particularly overpotentials, is essential for understanding electrode behavior. At the macroscopic scale, porous electrodes are…

Numerical Analysis · Mathematics 2026-03-03 Yuhe Wang , Min Wang , Zhihang Xu

A model of a finite cylindrical ion channel through a phospholipid membrane of width $L$ separating two electrolyte reservoirs is studied. Analytical solution of the Poisson equation is obtained for an arbitrary distribution of ions inside…

Soft Condensed Matter · Physics 2009-11-11 Yan Levin

This work introduces a sticky-charge wall model as a simple and intuitive representation of charge regulation. Implemented within the mean-field level of description, the model modifies the boundary conditions without affecting the…

Soft Condensed Matter · Physics 2019-05-27 Derek Frydel

We consider the nonlinear Poisson-Boltzmann equation in the context of electrostatic models for a biological macromolecule, embedded in a bounded domain containing a solution of an arbitrary number of ionic species which is not necessarily…

Analysis of PDEs · Mathematics 2022-04-26 José A. Iglesias , Svetoslav Nakov

The linear Boltzmann equation for elastic and/or inelastic scattering is applied to derive the distribution function of a spatially homogeneous system of charged particles spreading in a host medium of two-level atoms and subjected to…

Statistical Mechanics · Physics 2009-11-13 A. Rossani , A. M. Scarfone

We test the concepts of renormalized charge and potential saturation, introduced within the framework of highly asymmetric Coulomb mixtures, on exactly solvable Coulomb models. The object of study is the average electrostatic potential…

Statistical Mechanics · Physics 2016-08-31 L. Samaj

Polymeric ionic liquids are emerging polyelectrolyte materials for modern electrochemical applications. In this paper, we propose a self-consistent field theory of the polymeric ionic liquid on a charged conductive electrode. Taking into…

Soft Condensed Matter · Physics 2022-02-02 Yury A. Budkov , Nikolai N. Kalikin , Andrei L. Kolesnikov