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The comprehensive depiction of the many-body effects governing nanoconfined electrolytes is an essential step for the conception of nanofluidic devices with optimized performance. By incorporating self-consistently multivalent charges into…

Soft Condensed Matter · Physics 2020-12-14 Sahin Buyukdagli

We propose a detailed description of the structure of the layer formed by polyelectrolyte chains adsorbed onto an oppositely charged surface in the semi-dilute regime. We combine the mean-field Poisson-Boltzmann-Edwards theory and the…

Soft Condensed Matter · Physics 2019-02-20 Manoel Manghi , Miguel Aubouy

Using molecular dynamics simulations, it is demonstrated that monovalent counterions can induce aggregation of similarly charged rod-like polyelectrolyte chains. The critical value of the linear charge density for aggregation is shown to be…

Soft Condensed Matter · Physics 2014-05-06 Anoop Varghese , R. Rajesh , Satyavani Vemparala

We examine the interactions between polyelectrolytes (PEs) and uncharged substrates at conditions corresponding to a dielectric discontinuity between the aqueous solution and the substrate. To this end, we vary the relevant system…

Soft Condensed Matter · Physics 2024-12-03 Hossein Vahid , Alberto Scacchi , Maria Sammalkorpi , Tapio Ala-Nissila

We present a simple model for the possible mechanism of appearance of attraction between like charged polyions inside a polyelectrolyte solution. The attraction is found to be short ranged, and exists only in presence of multivalent…

Soft Condensed Matter · Physics 2009-10-31 Jeferson J. Arenzon , Juergen F. Stilck , Yan Levin

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 examine the effective counterion-mediated electrostatic interaction between two like-charged dielectric cylinders immersed in a continuous dielectric medium containing neutralizing mobile counterions. We focus on the effects of image…

Soft Condensed Matter · Physics 2015-05-18 Matej Kanduc , Ali Naji , Rudolf Podgornik

This study investigates the interplay between Strong Coupling (SC) attraction and hydration repulsion in nanoconfined water between like-charged phospholipid layers. It challenges the assumption that SC attraction requires multivalent…

The alteration of the dielectric membrane properties by membrane engineering techniques such as carbon nanotube (CNT) coating opens the way to novel molecular transport strategies for biosensing purposes. In this article, we predict a…

Soft Condensed Matter · Physics 2022-01-12 Sahin Buyukdagli

We investigate the collapse kinetics of charged polymers (polyelectrolytes) induced by counterion condensation using coarse-grained molecular dynamics simulations. Under good solvent conditions, polyelectrolytes above the critical charge…

Soft Condensed Matter · Physics 2025-04-18 Susmita Ghosh , Satyavani Vemparala

We report results from a molecular dynamics (MD) simulation on the conformations of a long flexible polyelectrolyte complexed to a charged sphere, \textit{both negatively charged}, in the presence of neutralizing counterions in the strong…

Soft Condensed Matter · Physics 2009-11-07 Rene Messina , Christian Holm , Kurt Kremer

The electrostatic Schwinger-Dyson equations are derived and solved for an electrolyte mixture composed of mono- and multivalent ions confined to a negatively charged nanoslit. The closure of these equations is based on an asymmetric…

Soft Condensed Matter · Physics 2020-01-06 Sahin Buyukdagli

Bending rigidity of a charged membrane or a charged polyelectrolyte screened by monovalent counterions is known to be enhanced by electrostatic effects. We show that in the case of screening by multivalent counterions the electrostatic…

Soft Condensed Matter · Physics 2009-10-31 T. T. Nguyen , I. Rouzina , B. I. Shklovskii

Soft matter materials, such as polymers, membranes, proteins, are often electrically charged. This makes them water soluble, which is of great importance in technological application and a prerequisite for biological function. We discuss a…

Soft Condensed Matter · Physics 2007-05-23 H. Boroudjerdi , Y. -W. Kim , A. Naji , R. R. Netz , X. Schlagberger , A. Serr

Charged soft-matter systems--such as colloidal dispersions and charged polymers--are dominated by attractive forces between constituent like-charged particles when neutralizing counterions of high charge valency are introduced. Such…

Soft Condensed Matter · Physics 2009-11-11 Ali Naji , Swetlana Jungblut , Andre G. Moreira , Roland R. Netz

A simple model is presented for the appearance of attraction between two like charged polyions inside a polyelectrolyte solution. The polyions are modeled as rigid cylinders in a continuum dielectric solvent. The strong electrostatic…

Soft Condensed Matter · Physics 2009-10-31 Alexandre Diehl , Humberto A. Carmona , Yan Levin

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

Strongly correlated electrostatics of DNA systems has drawn the interest of many groups, especially the condensation and overcharging of DNA by multivalent counterions. By adding counterions of different valencies and shapes, one can…

Biomolecules · Quantitative Biology 2017-05-25 Nguyen Viet Duc , Toan T. Nguyen , Paolo Carloni

Interplay of Coulomb interaction energy, free ion entropy, and conformational elasticity is a fascinating aspect in polyelectrolytes (PEs). We develop a theory for complexation of two oppositely charged PEs, a process known to be the…

Soft Condensed Matter · Physics 2022-09-15 Soumik Mitra , Arindam Kundagrami

We present an analytical approach to the strong coupling regime of similarly and highly charged plates in the presence of counter-ions. The procedure is physically transparent and based on an exact expansion around the ground state formed…

Statistical Mechanics · Physics 2011-02-23 L. Samaj , E. Trizac