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We reformulate the theory of strong electrostatic coupling in order to describe an asymmetric electrolyte solution of monovalent salt ions and polyvalent counterions using field-theoretical techniques and Monte-Carlo simulations. The theory…

Soft Condensed Matter · Physics 2015-05-14 Matej Kanduc , Ali Naji , Jan Forsman , Rudolf Podgornik

A theory is presented which allows us to accurately calculate the density profile of monovalent and multivalent counterions in suspensions of polarizable colloids or nano-particles. In the case of monovalent ions, we derive a weak-coupling…

Soft Condensed Matter · Physics 2011-09-23 Amin Bakhshandeh , Alexandre Pereira dos Santos , Yan Levin

We present a theory that enables us to calculate the effective surface charge of colloidal particles and to efficiently obtain titration curves for different salt concentrations. The theory accounts for the shift of pH of solution due to…

Soft Condensed Matter · Physics 2022-11-01 Amin Bakhshandeh , Derek Frydel , Yan Levin

We study the ionic distribution near a charged surface. A new method for performing Monte Carlo simulations in this geometry is discussed. A theory is then presented that allows us to accurately reproduce the density profiles obtained in…

Chemical Physics · Physics 2012-11-09 Alexandre P. dos Santos , Yan Levin

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 have performed MD simulations of a highly charged colloid in a solution of 3:1 and additional 1:1 salt. The dependency of the colloid's inverted charge on the concentration of the additional 1:1 salt has been studied. Most theories…

Soft Condensed Matter · Physics 2008-05-30 Olaf Lenz , Christian Holm

Counterion distribution around an isolated flexible polyelectrolyte in the presence of a divalent salt is evaluated using the adsorption model [M. Muthukumar, J. Chem. Phys. {\bf 120}, 9343 (2004)] that considers Bjerrum length, salt…

Soft Condensed Matter · Physics 2008-12-29 Arindam Kundagrami , M. Muthukumar

The conductivity of concentrated salt solutions has posed a real puzzle for theories of electrolytes. Despite a quantitative understanding of dilute solutions, an analytical theory for concentrated ones remains a challenge for almost a…

Chemical Physics · Physics 2025-12-30 Olga I Vinogradova , Elena F Silkina

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

We probe the electrostatic mechanism driving adsorption of polyelectrolytes onto like-charged membranes upon the addition of tri- and tetravalent counterions to a bathing monovalent salt solution. We develop a one-loop-dressed strong…

Soft Condensed Matter · Physics 2019-10-02 Sahin Buyukdagli , Rudolf Podgornik

We present a personal view on the current state of statistical mechanics of Coulomb fluids with special emphasis on the interactions between macromolecular surfaces, concentrating on the weak and the strong coupling limits. Both are…

Soft Condensed Matter · Physics 2015-06-16 Ali Naji , Matej Kanduč , Jan Forsman , Rudolf Podgornik

Electrostatic correlations between ions dissolved in water are known to impact their transport properties in numerous ways, from conductivity to ion selectivity. The effects of these correlations on the solvent itself remain, however, much…

Soft Condensed Matter · Physics 2024-01-31 Paul Robin

Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent (SC) theory (R.R. Netz and H. Orland, Eur. Phys.J. E 11, 301 (2003)). To this aim, we…

Soft Condensed Matter · Physics 2015-06-05 Sahin Buyukdagli , Cristian Achim , Tapio Ala-Nissila

The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the earlier MPB4 and…

Statistical Mechanics · Physics 2017-10-05 L. B. Bhuiyan , C. W. Outhwaite

Molecular dynamics simulation and recent theory are used to examine density correlations in semidilute solutions of highly charged, intrinsically flexible and hydrophilic polyelectrolytes in low salt. Quantitative comparison with no…

Soft Condensed Matter · Physics 2021-07-06 James P. Donley , David R. Heine

We present results of molecular dynamics simulations of strong, flexible polyelectrolyte chains in solution with added salt. The effect of added salt on the polyelectrolyte chain structure is fully treated for the first time as a function…

Soft Condensed Matter · Physics 2008-02-03 Mark J. Stevens , Steve Plimpton

Electrolyte theories enable to describe the structural and dynamical properties of simple electrolytes in solution, such as sodium chloride in water. Using these theories for aqueous solutions of charged nanoparticles is a straightforward…

Soft Condensed Matter · Physics 2020-02-03 Vincent Dahirel , Olivier Bernard , Marie Jardat

We explore interactions between equally charged surfaces, in the presence of simple salt and either neutral or monovalently charged polyampholytes. We consider the possibility of using these charged polymers as crude models of ion clusters.…

Soft Condensed Matter · Physics 2026-03-19 David Ribar , Clifford E Woodward , Jan Forsman

Mean-field theory is used to model polyelectrolyte adsorption and the possibility of overcompensation of charged surfaces. For charged surfaces that are also chemically attractive, the overcharging is large in high salt conditions,…

Soft Condensed Matter · Physics 2009-11-10 Adi Shafir , David Andelman

A macroion with a strongly charged negative surface in 3:1 salt water solution becomes net positive due to adsorption of an excessive number of positive 3-ions. The widely accepted theory of such charge inversion is based on the idea that…

Soft Condensed Matter · Physics 2024-02-13 Boris Shklovskii
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