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Osmotic coefficients, individual and mean activity coefficients of primitive model electrolyte solutions are computed at different molar concentrations using the symmetric Poisson-Boltzmann and modified Poisson-Boltzmann theories. The…

Statistical Mechanics · Physics 2018-06-27 A. O. Quiñones , L. B. Bhuiyan , C. W. Outhwaite

We present a soft-potential-enhanced Poisson-Boltzmann (SPB) theory to efficiently capture ion distributions and electrostatic potential around rodlike charged macromolecules. The SPB model is calibrated with a coarse-grained particle-based…

Soft Condensed Matter · Physics 2022-06-07 Hossein Vahid , Alberto Scacchi , Xiang Yang , Tapio Ala-Nissila , Maria Sammalkorpi

The Schr\"odinger-Poisson-Newton equations for crystals with a cubic lattice and one ion per cell are considered. The ion charge density is assumed i) to satisfy the Wiener and Jellium conditions introduced in our previous paper [28], and…

Analysis of PDEs · Mathematics 2018-08-27 Alexander Komech , Elena Kopylova

The Poisson-Nernst-Planck (PNP) equations are fundamental for modeling ion transport in electrochemical systems, capturing the intricate interplay of concentration gradients, electric fields, and ion fluxes essential for applications such…

Chemical Physics · Physics 2025-01-13 Yitao He , Dan Zhao

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…

Computational Physics · Physics 2021-05-21 Manman Ma , Zhenli Xu , Liwei Zhang

In this paper, on the basis of the Onsager--Wilson theory of strong binary electrolyte solutions we completely work out the solutions of the governing equations (Onsager-Fuoss equations and Poisson equations) for nonequilibrium pair…

Chemical Physics · Physics 2012-07-06 Byung Chan Eu , Hui Xu , Kyunil Rah

We derive a formally simple approximate analytical solution to the Poisson-Boltzmann equation for the spherical system via a geometric mapping. Its regime of applicability in the parameter space of the spherical radius and the surface…

Soft Condensed Matter · Physics 2012-02-01 Zhenwei Yao , Mark J. Bowick , Xu Ma

Delivering the full benefits of first principles calculations to battery materials demands the development of accurate and computationally-efficient electronic structure methods that incorporate the effects of the electrolyte environment…

We consider the quasi-classical limit of Nelson-type regularized polaron models describing a particle interacting with a quantized bosonic field. We break translation-invariance by adding an attractive external potential decaying at…

Analysis of PDEs · Mathematics 2025-02-05 Marco Falconi , Alessandro Olgiati , Nicolas Rougerie

Poisson-Boltzmann (PB) model is one of the most popular implicit solvent models in biophysical modeling and computation. The ability of providing accurate and reliable PB estimation of electrostatic solvation free energy, $\Delta…

Biomolecules · Quantitative Biology 2016-06-10 Duc D. Nguyen , Bao Wang , Guo-wei Wei

In the paper, we are concerned with the nonlinear Cauchy problem on the Vlasov-Poisson-Landau/Boltzmann system around global Maxwellians in torus or finite channel. The main goal is to establish the global existence and large time behavior…

Analysis of PDEs · Mathematics 2024-02-08 Dingqun Deng , Renjun Duan

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…

Soft Condensed Matter · Physics 2011-03-08 L. Samaj , E. Trizac

Within the Poisson-Boltzmann (PB) approach electrolytes in contact with planar, spherical, and cylindrical electrodes are analyzed systematically. The dependences of their capacitance $C$ on the surface charge density $\sigma$ and the ionic…

Soft Condensed Matter · Physics 2017-04-24 Andreas Reindl , Markus Bier , S. Dietrich

Many scalar field theory models with complex actions are invariant under the antilinear ($PT$) symmetry operation $L^{\ast}(-\chi)=L(\chi)$. Models in this class include the $i\phi^{3}$ model, the Bose gas at finite density and Polyakov…

High Energy Physics - Lattice · Physics 2018-11-28 Michael C. Ogilvie , Leandro Medina

Boundary value problems for integrable nonlinear evolution PDEs formulated on the half-line can be analyzed by the unified method introduced by one of the authors and used extensively in the literature. The implementation of this general…

Analysis of PDEs · Mathematics 2015-05-30 A. S. Fokas , J. Lenells

The paper presents a mean field theory of electrolyte solutions, extending the classical Debye-H\"{u}ckel-Onsager theory to provide a detailed description of the electrical conductivity in strong electrolyte solutions. The theory…

Soft Condensed Matter · Physics 2024-09-27 N. N. Kalikin , Yu. A. Budkov

We investigate a trapped mixture of Bose-Einstein condensates consisting of a multiple number of P species using an exactly-solvable many-body model, the $P$-species harmonic-interaction model. The solution is facilitated by utilizing a…

Quantum Gases · Physics 2024-11-13 O. E. Alon , L. S. Cederbaum

This work investigates the convergence of a domain decomposition method for the Poisson-Boltzmann model that can be formulated as an interior-exterior transmission problem. To study its convergence, we introduce an interior-exterior…

Numerical Analysis · Mathematics 2025-03-28 Xuanyu Liu , Yvon Maday , Chaoyu Quan , Hui Zhang

The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…

Soft Condensed Matter · Physics 2009-11-10 Martin Z. Bazant , Katsuyo Thornton , Armand Ajdari

The stationary solutions of the Gross-Pitaevskii equation can be divided in two classes: those which reduce, in the limit of vanishing nonlinearity, to the eigenfunctions of the associated Schr\"odinger equation and those which do not have…

Statistical Mechanics · Physics 2007-05-23 Roberto D'Agosta , Boris A. Malomed , Carlo Presilla