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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

The adsorption of highly charged flexible polycations and polyanions on a charged cylindrical substrate is investigated by means of Monte Carlo (MC) simulations. A detailed structural study, including monomer and fluid charge distributions,…

Soft Condensed Matter · Physics 2007-05-23 Rene Messina

Symmetry breaking surface fields give rise to nontrivial and long-ranged order parameter profiles for critical systems such as fluids, alloys or magnets confined to wedges. We discuss the properties of the corresponding universal scaling…

Statistical Mechanics · Physics 2009-10-31 A. Hanke , M. Krech , F. Schlesener , S. Dietrich

Using extensive Monte Carlo simulations we study the phase diagram of a symmetric binary (AB) polymer blend confined into a thin film as a function of the film thickness D. The monomer-wall interactions are short ranged and antisymmetric,…

Statistical Mechanics · Physics 2009-10-31 M. Mueller , K. Binder

The adsorption of highly \textit{oppositely} charged flexible polyelectrolytes onto a charged spherical surface is investigated by means of Monte Carlo simulations in a fashion which resembles the layer-by-layer deposition technique…

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

Monte Carlo simulations are used to study the translocation of a polymer into a cavity. Modeling the polymer as a hard-sphere chain with a length up to N=601 monomers, we use a multiple-histogram method to measure the variation of the…

Soft Condensed Matter · Physics 2021-03-25 James M. Polson , David R. Heckbert

We present an analysis of a partially directed walk model of a polymer which at one end is tethered to a sticky surface and at the other end is subjected to a pulling force at fixed angle away from the point of tethering. Using the kernel…

Soft Condensed Matter · Physics 2015-05-19 Judy-anne Osborn , Thomas Prellberg

We study the adsorption of homogeneous or heterogeneous polymers onto heterogeneous planar surfaces with exponentially decaying site-site correlations, using a variational reference system approach. As a main result, we derive simple…

Soft Condensed Matter · Physics 2009-11-11 Alexey Polotsky , Friederike Schmid , Andreas Degenhard

Close to a solid surface, the properties of a fluid deviate significantly from their bulk values. In this context, we study the surface adsorption profiles of a symmetric binary liquid confined to a slit pore by means of molecular dynamics…

Soft Condensed Matter · Physics 2025-01-15 Sutapa Roy , Felix Höfling

We study the problem of adsorption and collapse transition of a linear polymer chain situated in a fractal container represented by a 4-simplex lattice and interacting with a surface adsorbed linear polymer chain. The adsorbed chain…

Statistical Mechanics · Physics 2009-10-31 Sanjay Kumar , Yashwant Singh

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

The behavior of a system of two-dimensional elongated particles (discorectangles) packed into a slit between two parallel walls was analyzed using a simulation approach. The packings were produced using the random sequential adsorption…

Soft Condensed Matter · Physics 2021-12-09 Nikolai I. Lebovka , Mykhailo O. Tatochenko , Nikolai V. Vygornitskii , Yuri Yu. Tarasevich

Taking into account the well known correspondence between the field theoretical O(n)-vector model in the limit $n\to 0$ and the behavior of long-flexible polymer chains in a good solvent the investigation of ideal polymer chains adsorption…

Soft Condensed Matter · Physics 2012-09-25 Zoryana Usatenko

We construct the complete structural phase diagram of polymer adsorption at substrates with attractive stripe-like patterns in the parameter space spanned by the adsorption affinity of the stripes and temperature. Results were obtained by…

Statistical Mechanics · Physics 2014-04-14 Monika Möddel , Wolfhard Janke , Michael Bachmann

We develop Monte Carlo simulations for uniformly charged polymers and machine learning algorithm to interpret the intra-polymer structure factor of the charged polymer system, which can be obtained from small-angle scattering experiments.…

Soft Condensed Matter · Physics 2025-11-21 Lijie Ding , Chi-Huan Tung , Jan-Michael Y. Carrillo , Wei-Ren Chen , Changwoo Do

The present paper is dedicated to the 2-dimensional Interacting Partially Directed Self Avoiding Walk constrained to remain in the upper-half plan and interacting with the horizontal axis. The model has been introduced in \cite{F90} to…

Probability · Mathematics 2020-09-22 Alexandre Legrand , Nicolas Pétrélis

A phase diagram for a surface interacting long flexible partially directed polymer chain in a two-dimensional poor solvent where the possibility of collapse in the bulk exists is determined using exact enumeration method. We used a model of…

Statistical Mechanics · Physics 2020-12-29 Pramod K Mishra , Yashwant Singh

We theoretically study the reentrant condensation of a polyelectrolyte in the presence of an oppositely-charged surfactant,a phenomenon whose phase-transition mechanism remains under discussion. We focus on the adsorption and attraction…

Soft Condensed Matter · Physics 2024-11-12 Huaisong Yong

The adsorption of a single ideal polymer chain on energetically heterogeneous and rough surfaces is investigated using a variational procedure introduced by Garel and Orland (Phys. Rev. B 55 (1997), 226). The mean polymer size is calculated…

Statistical Mechanics · Physics 2009-10-31 Gregor Huber , Thomas A. Vilgis

The behavior of annealed branched polymers near adsorbing surfaces plays a fundamental role in many biological and industrial processes. Most importantly single stranded RNA in solution tends to fold up and self-bind to form a highly…

Soft Condensed Matter · Physics 2016-08-10 Jef Wagner , Gonca Erdemci-Tandogan , Roya Zandi