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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

The influence of the chain degree of ionization on the adsorption of weak polyelectrolytes on neutral and on oppositely and likely charged surfaces is investigated for the first time, by means of Monte Carlo simulations with the mesoscopic…

Biological Physics · Physics 2012-10-02 F. Alarcón , E. Pérez , A. Gama Goicochea

We explore, using the recently developed efficient Monte Carlo simulation method, the interaction of an anionic polyelectrolyte solution with a like-charged dielectric surface. In addition to polyions, the solution also contains salt with…

Soft Condensed Matter · Physics 2018-01-12 Alexandre P. dos Santos , Matheus Girotto , Yan Levin

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto…

Soft Condensed Matter · Physics 2010-05-05 D. Truzzolillo , F. Bordi , F. Sciortino , S. Sennato

The build up of polyelectrolyte multilayers (PEMs) was observed by a silicon-on-insulator (SOI) based thin film resistor. Differently charged polyelectrolytes adsorbing to the sensor surface result in defined potential shifts, which…

Soft Condensed Matter · Physics 2007-05-23 Petra A. Neff , Ali Naji , Christof Ecker , Bert Nickel , Regine von Klitzing , Andreas R. Bausch

For a tailored functionalization of cellulose based papers, the interaction between paper fibers and functional additives have to be understood. Planar cellulose surfaces present a suitable model system for studying the binding of…

Soft Condensed Matter · Physics 2021-01-11 Cassia Lux , Thomas Tilger , Ramsia Geisler , Olaf Soltwedel , Regine von Klitzing

Using self-assembly techniques, x-ray reflectivity measurements, and computer simulations, we study the effective interaction between charged polymer rods and surfaces. Long-time Brownian dynamics simulations are used to measure the…

Soft Condensed Matter · Physics 2009-10-31 R. Jay Mashl , Niels Grønbech-Jensen , M. R. Fitzsimmons , M. Lütt , DeQuan Li

Polyelectrolytes under confinement are crucial for energy storage and for understanding biomolecular functions. Using molecular dynamics simulations, we analyze a polyelectrolyte solution confined between two oppositely charged planar…

Statistical Mechanics · Physics 2019-06-05 Debarshee Bagchi , Trung Dac Nguyen , Monica Olvera de la Cruz

Mean-field theory and scaling arguments are presented to model polyelectrolyte adsorption from semi-dilute solutions onto charged surfaces. Using numerical solutions of the mean-field equations, we show that adsorption exists only for…

Soft Condensed Matter · Physics 2009-11-10 A. Shafir , D. Andelman , R. R. Netz

Chain-like macromolecules (polymers) show characteristic adsorption properties due to their flexibility and internal degrees of freedom, when attracted to surfaces and interfaces. In this review we discuss concepts and features that are…

Soft Condensed Matter · Physics 2009-11-07 Roland Netz , David Andelman

The modification of the boundary condition for polyelectrolyte adsorption on charged surface with short-ranged interaction is investigated under two regimes. For weakly charged Gaussian polymer in which the short-ranged attraction…

Soft Condensed Matter · Physics 2007-05-23 Chi-Ho Cheng

We investigate the complexation of a highly charged sphere with a long flexible polyelectrolyte, \textit{both negatively charged} in salt free environment. Electroneutrality is insured by the presence of divalent counterions. Using…

Soft Condensed Matter · Physics 2007-05-23 Rene Messina , Christian Holm , Kurt Kremer

Monte Carlo simulations are used to study the non-uniform equilibrium charge distribution along a single annealed polyelectrolyte chain under theta-solvent conditions and with added salt. Within a range of the order of the Debye length…

Soft Condensed Matter · Physics 2009-11-07 Tiziano Zito , Christian Seidel

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

We study mixtures of charged surfactants, which alone in solution form uni- and multilamellar vesicles, and oppositely charged polyelectrolytes (PEs). The phase behavior is investigated at fixed surfactant concentration as a function of the…

Soft Condensed Matter · Physics 2007-05-23 Laurence Ramos , Edith Vivares

Adsorption of charged polymers (polyelectrolytes) from a semi-dilute solution to a charged surface is investigated theoretically. We obtain simple scaling laws for (i) the amount of polymer adsorbed to the surface, Gamma, and (ii) the width…

Soft Condensed Matter · Physics 2009-10-30 I. Borukhov , D. Andelman , H. Orland

In the study of colloidal, biological and electrochemical systems, it is customary to treat surfaces, macromolecules and electrodes as homogeneously charged. This simplified approach is proven successful in most cases, but fails to describe…

Soft Condensed Matter · Physics 2022-08-04 Ram M. Adar , David Andelman , Haim Diamant

Polyelectrolyte (PE) brushes have ubiquitous applications as surface modifiers which regulate various structural and dynamic properties. Here, we apply a continuous-space self-consistent field theory to study the structural heterogeneity in…

Soft Condensed Matter · Physics 2024-12-25 Takashi Yokokura , Chao Duan , Rui Wang

Polymer electrolytes (PEs) are promising candidates for use in next-generation high-voltage batteries, as they possess advantageous elastic and electrochemical properties. However, PEs still suffer from low ionic conductivity and need to be…

In many biological processes highly charged biomolecules are adsorbed into oppositely charged surfaces of macroions and membranes. They form strongly correlated structures close to the surface which can not be explained by the conventional…

Soft Condensed Matter · Physics 2016-03-23 Sandipan Dutta , Y. S. Jho