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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

We study theoretically the equilibrium phase behaviour of a mixture of polydisperse hard-sphere colloids and monodisperse polymers, modelled using the Asakura-Oosawa model within the free volume approximation of Lekkerkerker et al. We…

Soft Condensed Matter · Physics 2009-11-10 M. Fasolo , P. Sollich

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

The influence of poor solvent quality on fluid demixing of a model mixture of colloids and nonadsorbing polymers is investigated using density functional theory. The colloidal particles are modelled as hard spheres and the polymer coils as…

Soft Condensed Matter · Physics 2009-11-07 Matthias Schmidt , Alan R. Denton

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

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

We report a numerical study of equilibrium phase-diagrams and interfacial properties of bulk and confined colloid-polymer mixtures using grand canonical Monte Carlo simulations. Colloidal particles are treated as hard spheres, while the…

Soft Condensed Matter · Physics 2009-11-13 Andrea Fortini , Peter G. Bolhuis , Marjolein Dijkstra

We performed a series of simulations for a linear polymer chain in a solvent using dissipative particle dynamics to check the scaling relations for the end-to-end distance, radius of gyration and hydrodynamic radius in three dimensions. The…

Soft Condensed Matter · Physics 2009-04-03 J. M. Ilnytskyi , Yu. Holovatch

An explicit expression is derived for the scattering function of a self-avoiding polymer chain in a $d$-dimensional space. The effect of strength of segment interactions on the shape of the scattering function and the radius of gyration of…

Statistical Mechanics · Physics 2007-05-23 A. D. Drozdov

From understanding the sand on the beach to the foam on your beer, soft sphere simulations have been crucial to the study of the amorphous world around us. However, many of the materials we interact with on a daily basis aren't comprised of…

Soft Condensed Matter · Physics 2024-03-18 R. C. Dennis

We map dilute or semi-dilute solutions of non-intersecting polymer chains onto a fluid of ``soft'' particles interacting via a concentration dependent effective pair potential, by inverting the pair distribution function of the centers of…

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

Molecular dynamics simulation methods are used to study the folding of polymer chains into packed cubic states. The polymer model, based on a chain of linked sites moving in the continuum, includes both excluded volume and torsional…

Soft Condensed Matter · Physics 2009-11-10 D. C. Rapaport

We consider three different continuum polymer models, that all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model chains are obtained by concatenating hard spherocylinders of…

Soft Condensed Matter · Physics 2017-10-25 Giuseppe D'Adamo , Andrea Pelissetto

The effective quasistatic conductivity of composite polymeric electrolytes is studied in terms of a hard-core--penetrable-layer model. Used to incorporate the interface phenomena (such as amorphization of the polymer matrix around filler…

Materials Science · Physics 2019-11-05 M. Ya. Sushko , A. K. Semenov

Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…

Soft Condensed Matter · Physics 2020-09-03 Emanuele Boattini , Nina Bezem , Sudeep N. Punnathanam , Frank Smallenburg , Laura Filion

Molecular dynamics simulations are used to investigate the conformations of a single polymer chain, represented by the Kremer-Grest bead-spring model, in a solution with a Lennard-Jones liquid as the solvent when the interaction strength…

Soft Condensed Matter · Physics 2021-11-17 Yisheng Huang , Shengfeng Cheng

The relevance of neglecting three- and four-body interactions in the coarse-grained version of the Asakura-Oosawa model is examined. A mapping between the first few virial coefficients of the binary nonadditive hard-sphere mixture…

Soft Condensed Matter · Physics 2016-08-08 Andrés Santos , Mariano López de Haro , Giacomo Fiumara , Franz Saija

We study the structure and interfacial properties of model athermal mixtures of colloids and excluded volume polymers. The colloid particles are modeled as hard spheres whereas the polymer coils are modeled as chains formed from…

Soft Condensed Matter · Physics 2007-05-23 Pawel Bryk

We study the stability of mixtures of highly screened repulsive charged spheres and non-adsorbing ideal polymer chains in a common solvent using free volume theory. The effective interaction between charged colloids in an aqueous salt…

Soft Condensed Matter · Physics 2015-06-25 Andrea Fortini , Marjolein Dijkstra , Remco Tuinier

We study the equilibrium dynamics of a single polymer chain under good solvent condition. Special emphasis is laid on varying the drag force experienced by the chain while it moves. To this end we model the solvent in a mesoscopic manner by…

Soft Condensed Matter · Physics 2019-05-01 Suman Majumder , Henrik Christiansen , Wolfhard Janke