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We study the adsorption-desorption transition of polyelectrolyte chains onto planar, cylindrical and spherical surfaces with arbitrarily high surface charge densities by massive Monte Carlo computer simulations. We examine in detail how the…

Soft Condensed Matter · Physics 2016-10-05 Sidney J. de Carvalho , Ralf Metzler , Andrey G. Cherstvy

A plasma transport theory that spans weak to strong coupling is developed from a binary collision picture, but where the interaction potential is taken to be an effective potential that includes correlation effects and screening…

Plasma Physics · Physics 2016-05-11 Scott D. Baalrud , Jerome Daligault

The mesoscopic field theory for ionic systems [A. Ciach and G. Stell, J. Mol. Liq. 87, 255 (2000)] is extended to the system with charged boundaries. A very simple expression for the excess grand potential functional of the charge density…

Soft Condensed Matter · Physics 2018-11-20 Alina Ciach

Dusty plasma can exist in a wide range, from the laboratory to Saturn's rings. The coupling parameter plays a very important role in diagnosing dusty plasma. There are two ways to deal analytically with the effect of coupling in plasma.…

Plasma Physics · Physics 2023-11-29 J. Goswami , S. S. Kausik

The properties of surfaces with charge-regulated patches are studied using non-linear Poisson-Boltzmann theory. Using a mode expansion to solve the non-linear problem efficiently, we reveal the charging behaviour of Debye-length sized…

Soft Condensed Matter · Physics 2015-05-20 Niels Boon , René van Roij

Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…

Statistical Mechanics · Physics 2007-05-23 Yng-gwei Chen , Charanbir Kaur , John D. Weeks

A modified Poisson-Nernst-Planck system in a bounded domain with mixed Dirichlet-Neumann boundary conditions is analyzed. It describes the concentrations of ions immersed in a polar solvent and the correlated electric potential due to the…

Analysis of PDEs · Mathematics 2023-05-25 Ansgar Jüngel , Annamaria Massimini

We use the recently developed soft-potential-enhanced Poisson-Boltzmann (SPB) theory to study the interaction between two parallel polyelectrolytes (PEs) in monovalent ionic solutions in the weak-coupling regime. The SPB theory is fitted to…

Soft Condensed Matter · Physics 2022-09-28 Xiang Yang , Alberto Scacchi , Hossein Vahid , Maria Sammalkorpi , Tapio Ala-Nissila

The standard model for diffuse charge phenomena in colloid science, electrokinetics and biology is the Poisson-Boltzmann mean-field theory, which breaks down for multivalent ions and large surface charge densities due to electrostatic…

Soft Condensed Matter · Physics 2020-02-14 J. Pedro de Souza , Martin Z. Bazant

A self-consistent theory of bulk electrolytes incorporating electrostatic and hard-core interactions on an equal level is applied to the two-dimensional Coulomb liquid with finite ion size. The ionic pair distributions, the structure…

Soft Condensed Matter · Physics 2026-04-10 Sahin Buyukdagli

We investigate end-effects in the ion distribution around strongly charged, flexible polyelectrolytes with a quenched charge distribution by molecular dynamics simulations of dilute polyelectrolyte solutions. We take the counterions…

Soft Condensed Matter · Physics 2015-06-24 Hans Jörg Limbach , Christian Holm

The association of ions in electrolyte solutions at very low concentration and low temperature is studied using computer simulations and quasi-chemical ion-pairing theory. The specific case of the restricted primitive model (charged hard…

Soft Condensed Matter · Physics 2011-09-23 Chantal Valeriani , Philip J. Camp , Jos W. Zwanikken , René van Roij , Marjolein Dijkstra

We investigate the interaction between highly charged lipid bilayers in the presence of monovalent counterions. Neutron and X-ray reflectivity experiments show that the water layer between like-charged bilayers is thinner than for…

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 strongly coupled electron liquid provides a unique opportunity to study the complex interplay of strong coupling with quantum degeneracy effects and thermal excitations. To this end, we carry out extensive \textit{ab initio} path…

Computational Physics · Physics 2020-02-05 Tobias Dornheim , Travis Sjostrom , Shigenori Tanaka , Jan Vorberger

Model macroion solutions next to a charged wall show interface \textit{true overcharging}, charge reversal and inversion, and layering. Macroion layering is present, even if the wall or the macroparticle are \textit{uncharged} or if the…

Chemical Physics · Physics 2007-05-23 Marcelo Lozada-Cassou , Felipe Jimenez-Angeles

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

We have developed a Monte Carlo simulation for ion transport in hot background gases, which is an alternative way of solving the corresponding Boltzmann equation that determines the distribution function of ions. We consider the limit of…

Plasma Physics · Physics 2012-05-04 Zoran Ristivojevic , Zoran Lj. Petrović

We investigate a two-scale system featuring an upscaled parabolic dispersion-reaction equation intimately linked to a family of elliptic cell problems. The system is strongly coupled through a dispersion tensor, which depends on the…

Analysis of PDEs · Mathematics 2025-10-10 Vishnu Raveendran , Surendra Nepal , Rainey Lyons , Michael Eden , Adrian Muntean

The interaction between surface patches of proteins with different surface properties has a vital role to play driving conformational changes of proteins in different salt solutions. We demonstrate the existence of ion-specific attractive…

Soft Condensed Matter · Physics 2012-01-06 Eduardo R. A. Lima , Mathias Boström , Nadine Schwierz , Bo E. Sernelius , Frederico W. Tavares
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