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The Poisson-Boltzmann (PB) theory is one of the most important theoretical models describing charged systems continuously. However, it suffers from neglecting ion correlations, which hinders its applicability to more general charged systems…

Statistical Mechanics · Physics 2020-08-26 Mao Su , Yanting Wang

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

A widely used electrostatics model in the biomolecular modeling community, the nonlinear Poisson-Boltzmann equation, along with its finite element approximation, are analyzed in this paper. A regularized Poisson-Boltzmann equation is…

Numerical Analysis · Mathematics 2010-01-12 Long Chen , Michael Holst , Jinchao Xu

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

The cell-model and its treatment on the Poisson-Boltzmann level are two important concepts in the theoretical description of charged macromolecules. In this brief contribution to the Proceedings of the NATO-ASI on ``Electrostatic Effects in…

Soft Condensed Matter · Physics 2007-05-23 Markus Deserno , Christian Holm

The Poisson Boltzmann equation is known for its success in describing the Debye layer that arises from the charge separation phenomenon at the silica/water interface. However, by treating only the mobile ionic charges in the liquid, the…

Soft Condensed Matter · Physics 2019-07-30 Maijia Liao , Li Wan , Shixin Xu , Chun Liu , Ping Sheng

The effective electrostatic interaction between a pair of colloids, both of them located close to each other at an electrolyte interface, is studied by employing the full, nonlinear Poisson-Boltzmann (PB) theory within classical density…

Soft Condensed Matter · Physics 2016-08-17 Arghya Majee , Markus Bier , S. Dietrich

In this paper we discuss the dissipative property of near-equilibrium classical solutions to the Cauchy problem of the Vlasov-Maxwell-Boltzmann System in the whole space $\R^3$ when the positive charged ion flow provides a spatially uniform…

Analysis of PDEs · Mathematics 2011-07-12 Renjun Duan

For multispecies ions, we study boundary layer solutions of charge conserving Poisson-Boltzmann (CCPB) equations [50] (with a small parameter \k{o}) over a finite one-dimensional (1D) spatial domain, subjected to Robin type boundary…

Analysis of PDEs · Mathematics 2015-04-28 Chiun-Chang Lee , Hijin Lee , YunKyong Hyon , Tai-Chia Lin , Chun Liu

We present an extension to the Poisson-Boltzmann model where the dipolar features of solvent molecules are taken explicitly into account. The formulation is derived at mean-field level and can be extended to any order in a systematic…

Soft Condensed Matter · Physics 2012-01-31 Ariel Abrashkin , David Andelman , Henri Orland

In this chapter we review the electrostatic properties of charged membranes in aqueous solutions, with or without added salt, employing simple physical models. The equilibrium ionic profiles close to the membrane are governed by the…

Soft Condensed Matter · Physics 2023-01-05 Tomer Markovich , David Andelman , Rudi Podgornik

The Poisson-Boltzmann (PB) theory is widely used to depict ionic systems. As a mean-field theory, the PB theory neglects the correlation effect in the ionic atmosphere and leads to deviations from experimental results as the concentration…

Soft Condensed Matter · Physics 2019-06-25 Mao Su , Zhijie Xu , Yanting Wang

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

We study the variation of the dielectric response of ionic aqueous solutions as function of their ionic strength. The effect of salt on the dielectric constant appears through the coupling between ions and dipolar water molecules. On a…

Soft Condensed Matter · Physics 2013-11-19 Amir Levy , David Andelman , Henri Orland

We apply general variational techniques to the problem of the counterion distribution around highly charged objects where strong condensation of counterions takes place. Within a field-theoretic formulation using a fluctuating electrostatic…

Soft Condensed Matter · Physics 2009-11-07 Roland R. Netz , Henri Orland

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

In a continuum model of the solvation of charged molecules in an aqueous solvent, the classical Poisson-Boltzmann (PB) theory is generalized to include the solute point charges and the dielectric boundary that separates the high-dielectric…

Optimization and Control · Mathematics 2021-09-29 Bo Li , Zhengfang Zhang , Shenggao Zhou

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

The non-equilibrium steady states of a semi-infinite quasi-one-dimensional univalent binary electrolyte solution, characterised by non-vanishing electric currents, are investigated by means of Poisson-Nernst-Planck (PNP) theory. Exact…

Soft Condensed Matter · Physics 2024-01-09 Markus Bier

Within the Poisson-Boltzmann (PB) framework useful for a wealth of charged soft matter problems, we work out the Coulombic grand potential of a long cylindrical charged polyion in a binary electrolyte solution of arbitrary valency and for…

Soft Condensed Matter · Physics 2019-10-01 Gabriel Tellez , Emmanuel Trizac