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The molecular dynamics simulations were used to obtain the radius of gyration of real ring polymer chains with different topological structures consisting of 360 monomers. We focus on the entropic force which is exerted by a dilute solution…

Soft Condensed Matter · Physics 2024-01-18 P. Kuterba , Z. Danel , W. Janke

The structure of polymer coils near interfaces between coexisting phases of symmetrical polymer mixtures (AB) is discussed, as well as the structure of symmetric diblock copolymers of the same chain length N adsorbed at the interface. The…

Soft Condensed Matter · Physics 2015-06-25 K. Binder , M. Mueller , F. Schmid , A. Werner

Lattice model of directed self avoiding walk is used to investigate adsorption properties of a semiflexible sequential copolymer chain on an impenetrable curved surface on a hexagonal lattice in two dimensions. Walks of the copolymer chains…

Statistical Mechanics · Physics 2010-06-02 Pramod Kumar Mishra

Dilute or semi-dilute solutions of non-intersecting self-avoiding walk (SAW) polymer chains are mapped onto a fluid of ``soft'' particles interacting via an effective pair potential between their centers of mass. This mapping is achieved by…

Soft Condensed Matter · Physics 2009-10-31 P. G. Bolhuis , A. A. Louis , J. P. Hansen , E. J. Meijer

We present a simple analytical theory of flexible polymer chain dissolved in a good solvent, carrying permanent freely oriented dipoles on the monomers. We take into account the dipole correlations within the random phase approximation…

Soft Condensed Matter · Physics 2017-03-17 Yu. A. Budkov , N. N. Kalikin , A. L. Kolesnikov

The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as…

Soft Condensed Matter · Physics 2024-07-30 A. Lamura

Monte Carlo simulations are used to study the behavior of two polymers under confinement in a cylindrical tube. Each polymer is modeled as a chain of hard spheres. We measure the free energy of the system, F, as a function of the distance…

Soft Condensed Matter · Physics 2015-06-22 James M. Polson , Logan G. Montgomery

A coarse-graining strategy for dilute and semi-dilute solutions of interacting polymers, and of colloid polymer mixtures is briefly described. Monomer degrees of freedom are traced out to derive an effective, state dependent pair potential…

Soft Condensed Matter · Physics 2009-11-11 J. -P. Hansen , C. I. Addison , A. A. Louis

The characterization of the interactions between two fully flexible self-avoiding polymers is one of the classic and most important problems in polymer physics. In this paper we measure these interactions in the presence of active…

Soft Condensed Matter · Physics 2022-04-06 M. C. Gandikota , A. Cacciuto

The dynamics of flexible polymer molecules are often assumed to be governed by hydrodynamics of the solvent. However there is considerable evidence that internal dissipation of a polymer contributes as well. Here we investigate the dynamics…

Soft Condensed Matter · Physics 2013-05-29 J. M. Deutsch

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

Solutions of interacting linear polymers are mapped onto a system of ``soft'' spherical particles interacting via an effective pair potential. This coarse-graining reduces the individual monomer-level description to a problem involving only…

Soft Condensed Matter · Physics 2007-05-23 V. Krakoviack , J. P. Hansen , A. A. Louis

The depletion interactions between two ellipsoids in three configurations were studied by both Monte Carlo simulation with the Wang-Landau algorithm and the density functional theory in the curvature expansion approximation. Common features…

Soft Condensed Matter · Physics 2015-06-18 Han Miao , Yao Li , Hongru Ma

We investigate Monte Carlo simulation strategies for determining the effective ("depletion") potential between a pair of hard spheres immersed in a dense sea of much smaller hard spheres. Two routes to the depletion potential are…

Soft Condensed Matter · Physics 2015-06-16 D. J. Ashton , V. Sanchez-Gil , N. B. Wilding

The coupled dynamics of entangled polymers which span a broad time and length scales govern the unique viscoelastic properties of polymers. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes…

Soft Condensed Matter · Physics 2016-11-03 Gary S. Grest

We present the exact solutions of various directed walk models of polymers confined to a slit and interacting with the walls of the slit via an attractive potential. We consider three geometric constraints on the ends of the polymer and…

Statistical Mechanics · Physics 2009-11-11 R Brak , A L Owczarek , A Rechnitzer , S G Whittington

A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…

Soft Condensed Matter · Physics 2009-11-13 Jutta Luettmer-Strathmann , Federica Rampf , Wolfgang Paul , Kurt Binder

We report molecular dynamics simulations of a system of repulsive, polymer-tethered colloidal particles. We use an explicit polymer model to explore how the length and the behavior of the polymer (ideal or self-avoiding) affect the ability…

Soft Condensed Matter · Physics 2015-05-14 Behnaz Bozorgui , Maya Sen , William L. Miller , Josep C. Pamies , Angelo Cacciuto

We study the behavior of a flexible polymer chain in the presence of a low-molecular weight solvent in the vicinity of a liquid-gas critical point within the framework of a self-consistent field theory. The total free energy of the dilute…

Statistical Mechanics · Physics 2015-07-29 Yu. A. Budkov , A. L. Kolesnikov , N. Georgi , M. G. Kiselev

We propose that several mechanisms contribute to friction in a polymer melt adsorbed at a structured surface. The first one is the well known disentanglement of bulk polymer chains from the surface layer. However, if the surface is ideal at…

Soft Condensed Matter · Physics 2007-05-23 X. Zhou , D. Andrienko , L. Delle Site , K. Kremer