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The problem of the one dimensional electro-diffusion of ions in a strong binary electrolyte is considered. In such a system the solute dissociates completely into two species of ions with unlike charges. The mathematical description…

Chemical Physics · Physics 2012-03-28 Sandip Ghosal , Zhen Chen

Non-local electrostatic interactions associated with the finite solvent size and ion polarizability are investigated within the mean-field linear response theory. To this end, we introduce a field theoretic model of a polar liquid composed…

Soft Condensed Matter · Physics 2015-06-15 Sahin Buyukdagli , Tapio Ala-Nissila

Water's ability to autoionize into hydroxide and hydronium ions profoundly influences surface properties, rendering interfaces either basic or acidic. While it is well-established that protons show an affinity to the air-water interface, a…

Chemical Physics · Physics 2025-02-05 Xavier R. Advincula , Kara D. Fong , Angelos Michaelides , Christoph Schran

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

A new modified Poisson-Boltzmann equation accounting for the finite size of the ions valid for realistic salt-free concentrated suspensions has been derived, extending the formalism developed for pure salt-free suspensions [Roa et al.,…

Soft Condensed Matter · Physics 2017-09-13 Rafael Roa , Félix Carrique , Emilio Ruiz-Reina

We have investigated a single charged microgel in aqueous solution with a combined simulational model and Poisson-Boltzmann theory. In the simulations we use a coarse-grained charged bead-spring model in a dielectric continuum, with…

Soft Condensed Matter · Physics 2009-03-12 Gil C. Claudio , Christian Holm , Kurt Kremer

The classical treatment of the electrical double-layer (EDL) structure at a planar metal/electrolyte junction via the Gouy-Chapman-Stern (GCS) approach is based on the Poisson equation relating the electrostatic potential to the net mean…

Applied Physics · Physics 2022-01-11 Anis Allagui , Hachemi Benaoum , Oleg Olendski

We investigate the ion distribution and overcharging at charged interfaces with dielectric inhomogeneities in the presence of asymmetric electrolytes containing polyvalent and monovalent ions. We formulate an effective "dressed counterion"…

Soft Condensed Matter · Physics 2015-03-17 Matej Kanduc , Ali Naji , Jan Forsman , Rudolf Podgornik

The low-frequency limit of the electrical conductivity (d.c. conductivity) of differently flexible polyions in aqueous solutions has been measured over an extended polyion concentration range, covering both the dilute and semidilute…

Soft Condensed Matter · Physics 2008-06-16 D. Truzzolillo , F. Bordi , C. Cametti , S. Sennato

We theoretically study electrostatic properties of electric double layer using a generalized Poisson-Boltzmann approach taking into account the orientational ordering of water dipoles and the excluded volume effect of water molecules as…

Soft Condensed Matter · Physics 2022-02-14 Jun-Sik Sin , Song-Jin Im , Kwang-Il Kim

We theoretically investigate electrostatic properties between two charged surfaces with a grafted polyelectrolyte layer in an aqueous electrolyte solution by using the Poisson-Boltzmann approach accounting for ion partitioning. In order to…

Soft Condensed Matter · Physics 2022-02-07 Jun-Sik Sin

We revisit the popular notion of effective or renormalized charge, which is a concept of central importance in the field of highly charged colloidal or polyelectrolyte solutions. Working at the level of a linear Debye-H\"uckel like theory…

Soft Condensed Matter · Physics 2009-11-07 Emmanuel Trizac , Lyderic Bocquet , Miguel Aubouy

We construct a mean-field formulation of the thermodynamics of ion solvation in immiscible polar binary mixtures. Assuming an equilibrium planar interface separating two semi-infinite regions of different constant dielectric medium, we…

Soft Condensed Matter · Physics 2007-10-03 William Kung , Francisco J. Solis , Monica Olvera de la Cruz

We examine the possibility of Bose-Einstein condensation in one-dimensional interacting Bose gas subjected to confining potentials of the form $V_{\rm ext}(x)=V_0(|x|/a)^\gamma$, in which $\gamma < 2$, by solving the Gross-Pitaevskii…

Statistical Mechanics · Physics 2009-10-31 M. Bayindir , B. Tanatar , Z. Gedik

A theory of a confined two dimensional electrolyte is presented. The positive and negative ions, interacting by a $1/r$ potential, are constrained to move on an interface separating two solvents with dielectric constants $\epsilon_1$ and…

Statistical Mechanics · Physics 2009-11-07 J. E. Flores-Mena , Marcia C. Barbosa , Yan Levin

The Poisson-Boltzmann (PB) equation provides a mean-field theory of electrolyte solutions at interfaces and in confinement, describing how ions reorganize close to charged surfaces to form the so-called electrical double layer (EDL), with…

Soft Condensed Matter · Physics 2024-09-10 Cecilia Herrero , Laurent Joly

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…

Computational Physics · Physics 2020-01-08 Christopher J. Stein , John M. Herbert , Martin Head-Gordon

When an ionic liquid adsorbs onto a porous electrode, its ionic arrangement is deeply modified due to a screening of the Coulombic interactions by the metallic surface and by the confinement imposed upon it by the electrode's morphology. In…

The ionization of liquefied noble gases by radiation is known to be accompanied by fluctuations much larger than predicted by Poisson statistics. We have studied the fluctuations of both scintillation and ionization in liquid xenon and have…

We propose a field-theoretical approach based on the thermodynamic perturbation theory and within it derive a grand thermodynamic potential of the inhomogeneous ionic fluid as a functional of electrostatic potential for an arbitrary…

Soft Condensed Matter · Physics 2022-05-25 Yu. A. Budkov , A. L. Kolesnikov