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Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A…

Statistical Mechanics · Physics 2007-05-23 M. Mueller , K. Binder , E. V. Albano

We investigate the localization of a hydrophobic - polar (HP) - regular copolymer at a selective solvent-solvent interface with emphasis on the impact of block length $M$ on the copolymer behavior. The considerations are based on simple…

Soft Condensed Matter · Physics 2007-05-23 Andrea Corsi , Andrey Milchev , Vakhtang G. Rostiashvili , Thomas A. Vilgis

We present a quantitative comparison between extensive Monte Carlo simulations and self-consistent field calculations on the phase diagram and wetting behavior of a symmetric, binary (AB) polymer blend confined into a film. The flat walls…

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

The coil-globule transition has been studied for A-B copolymer chains both by means of lattice Monte Carlo simulations using bond fluctuation algorithm and by a numerical self-consistent field method. Copolymer chains of fixed length with A…

The interfacial profile between coexisting phases of a binary mixture (A,B) in a thin film of thickness D and lateral linear dimensions L depends sensitively on both linear dimensions and on the nature of boundary conditions and statistical…

Statistical Mechanics · Physics 2009-10-30 Andreas Werner , Friederike Schmid , Marcus Mueller , Kurt Binder

The adsorption of a single multi-block $AB$-copolymer on a solid planar substrate is investigated by means of computer simulations and scaling analysis. It is shown that the problem can be mapped onto an effective homopolymer adsorption…

Soft Condensed Matter · Physics 2008-06-27 Swati Bhattacharya , Hsiao-Ping Hsu , Andrey Milchev , Vakhtang G. Rostiashvili , Thomas A. Vilgis

We study the localisation of lattice polymer models near a permeable interface in two dimensions. Localisation can arise due to an interaction between the polymer and the interface, and can be altered by a preference for the bulk solvent on…

Statistical Mechanics · Physics 2024-07-24 C J Bradly , N R Beaton , A L Owczarek

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a…

Soft Condensed Matter · Physics 2019-10-31 Javier Diaz , Marco Pinna , Andrei V. Zvelindovsky , Ignacio Pagonabarraga

A linear copolymer made of two reciprocally attracting N-monomer blocks collapses to a compact phase through a novel transition, whose exponents are determined with extensive MC simulations in two and three dimensions. In the former case,…

Soft Condensed Matter · Physics 2009-10-31 E. Orlandini , F. Seno , A. L. Stella

Monte Carlo simulations of the Asakura-Oosawa (AO) model for colloid-polymer mixtures confined between two parallel repulsive structureless walls are presented and analyzed in the light of current theories on capillary condensation and…

Soft Condensed Matter · Physics 2009-11-13 Andres De Virgiliis , Richard L. C. Vink , Jürgen Horbach , Kurt Binder

Starting from a microscopic lattice model, we investigate clustering, micellization and micelle ordering in semi-dilute solutions of AB diblock copolymers in a selective solvent. To bridge the gap in length scales, from monomers to ordered…

Soft Condensed Matter · Physics 2009-11-11 Carlo Pierleoni , Chris Addison , Jean-Pierre Hansen , Vincent Krakoviack

This paper studies a polymer chain in the vicinity of a linear interface separating two immiscible solvents. The polymer consists of random monomer types, while the interface carries random charges. Both the monomer types and the charges…

Probability · Mathematics 2015-06-05 Frank den Hollander , Alex A. Opoku

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

The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…

Soft Condensed Matter · Physics 2018-05-30 Javier Diaz , Marco Pinna , Andrei Zvelindovsky , Adelchi Asta , Ignacio Pagonabarraga

We investigate by means of a number of different dynamical Monte Carlo simulation methods the self-assembly of equilibrium polymers in dilute, semidilute and concentrated solutions under good-solvent conditions. In our simulations, both…

Statistical Mechanics · Physics 2009-10-31 J. P. Wittmer , P. van der Schoot , A. Milchev , J. -L. Barrat

We study a solution of interacting semiflexible polymers with curvature energy in poor-solvent conditions on the d-dimensional cubic lattice using mean-field theory and Monte Carlo computer simulations. Building upon past studies on a…

Soft Condensed Matter · Physics 2024-07-02 Davide Marcato , Achille Giacometti , Amos Maritan , Angelo Rosa

We consider a diffuse interface model describing a ternary system constituted by a conductive diblock copolymer and a homopolymer acting as solvent. The resulting dynamics is modeled by two Cahn--Hilliard--Oono equations for the copolymer…

Analysis of PDEs · Mathematics 2024-11-07 Helmut Abels , Andrea Di Primio , Harald Garcke

The formation of various bicontinuous phases from binary blends of linear AB diblock copolymers (DBCPs) is studied using the polymeric self-consistent field theory. The theoretical study predicts that the double-diamond and the "plumber's…

Soft Condensed Matter · Physics 2021-09-01 Chi To Lai , An-Chang Shi

Single three dimensional polymers confined to a slab, i.e. to the region between two parallel plane walls, are studied by Monte Carlo simulations. They are described by $N$-step walks on a simple cubic lattice confined to the region $1 \le…

Soft Condensed Matter · Physics 2009-11-10 Hsiao-Ping Hsu , Peter Grassberger

To describe the full spectrum of surface fluctuations of the interface between phase-separated colloid-polymer mixtures from low scattering vector q (classical capillary wave theory) to high q (bulk-like fluctuations), one must take account…

Soft Condensed Matter · Physics 2009-11-13 Edgar M. Blokhuis , Joris Kuipers , Richard Vink