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A simple application of classical density functional theory is derived and applied to a system of polymers grafted to a plane. The system is assumed to have symmetry in directions parallel to the grafting plane hence it being a…

Soft Condensed Matter · Physics 2016-12-02 Luke Kristopher Davis

Theories of strongly stretched polymer brushes, particularly the parabolic brush theory, are valuable for providing analytically tractable predictions for the thermodynamic behavior of surface-grafted polymers in a wide range of settings.…

Soft Condensed Matter · Physics 2022-01-05 Michael S. Dimitriyev , Gregory M. Grason

We analyze the shear response of grafted polymer chains in shear flow via coarse-grained molecular dynamics simulations. Our simulations confirm that the shear response is dominated by the brush's outermost correlation volume, which depends…

Soft Condensed Matter · Physics 2023-11-03 Jan Mees , Thomas C. O'Connor , Lars Pastewka

We study the effect of polydispersity on the structure of polymer brushes by analytical theory, a numerical self-consistent field approach, and Monte Carlo simulations. The polydispersity is represented by the Schulz-Zimm chain-length…

Soft Condensed Matter · Physics 2017-02-08 Shuanhu Qi , Leonid I. Klushin , Alexander M. Skvortsov , Friederike Schmid

Hydrophobically modified polymers are good candidates for the stabilization of liquid interfaces thanks to the high anchoring energy of the hydrophobic parts. In this article we probe the interfacial anchoring of a series of home-made…

Applied Physics · Physics 2019-03-04 C. Trégouët , Thomas Salez , N. Pantoustier , P. Perrin , M. Reyssat , C. Monteux

Using surface-tension measurements, we study the brush-limited adsorption dynamics of a range of amphiphilic polymers, PAAH-$\alpha$-$\textrm{C}_n$ composed of a poly(acrylic acid) backbone, PAAH, grafted with a fraction $\alpha$ of alkyl…

Molecular Dynamics simulations of a coarse-grained bead-spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length $N$ and grafting density $\sigma$ are varied over a wide…

Soft Condensed Matter · Physics 2007-05-23 Dimitar I. Dimitrov , Andrey Milchev , Kurt Binder , Dieter W. Heermann

We experimentally and theoretically consider highly condensed planar brushes made of charged polymers. Using x-ray reflectivity on polyelectrolytes which are anchored at the water-air interface, it is shown that such strongly stretched…

We report a simulation study for bottle-brush polymers grafted on a rigid backbone. Using a standard coarse-grained bead-spring model extensive molecular dynamics simulations for such macromolecules under good solvent conditions are…

Soft Condensed Matter · Physics 2015-05-30 Hamed Maleki , Panagiotis E. Theodorakis

From glycosylated cell surfaces to sterically stabilized liposomes, polymers attached to membranes attract biological and therapeutic interest. Can the scaling laws of polymer "brushes" describe the physical properties of these coats? We…

Soft Condensed Matter · Physics 2007-05-23 Per Lyngs Hansen , Joel A. Cohen , Rudi Podgornik , V. Adrian Parsegian

In the present work, we study the equilibrium conformations of linear polyelectrolytes tethered onto a spherical, oppositely charged core in equilibrium with an ionic reservoir of fixed concentration. Particular focus is placed on the…

Soft Condensed Matter · Physics 2021-12-21 Amin Bakhshandeh , Maximiliano Segala , Thiago Colla

We present the first analytic theory with elegant and closed-form analytical solutions to explore the cosolvency effect in polymer brushes, where polymer chains that are poorly soluble in two pure solvents become fully soluble in certain…

Soft Condensed Matter · Physics 2026-04-28 Huaisong Yong , Binyu Zhao

The adsorption of a bottle-brush polymer end-grafted with one chain end of its backbone to a flat substrate surface is studied by Monte Carlo simulation of a coarse-grained model, that previously has been characterized in the bulk, assuming…

Soft Condensed Matter · Physics 2010-10-13 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

The organization of nano-particles inside grafted polymer layers is governed by the interplay of polymer-induced entropic interactions and the action of externally applied fields. Earlier work had shown that strong external forces can drive…

Soft Condensed Matter · Physics 2016-08-04 Tine Curk , Francisco J. Martinez-Veracoechea , Daan Frenkel , Jure Dobnikar

Solutions of semiflexible polymers confined by repulsive planar walls are studied by density functional theory and Molecular Dynamics simulations, to clarify the competition between the chain alignment favored by the wall and the depletion…

Soft Condensed Matter · Physics 2016-05-25 Sergei A. Egorov , Andrey Milchev , Peter Virnau , Kurt Binder

Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…

Statistical Mechanics · Physics 2018-05-30 P. H. L. Martins , J. A. Plascak , M. Bachmann

We consider a functional surface comprising thermoresponsive polymer chains, the material that has found numerous technological and biomedical applications. However, to achieve the required time and length scales for computer modelling of…

Soft Condensed Matter · Physics 2023-08-16 D. Yaremchuk , O. Kalyuzhnyi , J. Ilnytskyi

Friction between ring-polymer brushes at melt densities sliding past each other are studied using extensive course-grained molecular dynamics simulations and scaling arguments, and the results are compared to the friction between…

Soft Condensed Matter · Physics 2015-05-20 A. Erbas , J. Paturej

We propose a design for polymer-based sensors and switches with sharp switching transition and fast response time. The switching mechanism involves a radical change in the conformations of adsorption-active minority chains in a brush. Such…

Soft Condensed Matter · Physics 2015-06-23 Leonid I. Klushin , Alexander M. Skvortsov , Alexey A. Polotsky , Shuanhu Qi , Friederike Schmid

In this paper, we study the equilibrium properties of polymer chains end-tethered to a fluid membrane. The loss of conformational entropy of the polymer results in an inhomogeneous pressure field that we calculate for gaussian chains. We…

Soft Condensed Matter · Physics 2009-10-31 T. Bickel , C. Jeppesen , C. M. Marques