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The Asakura-Oosawa model for colloid-polymer mixtures is studied by Monte Carlo simulations at densities inside the two-phase coexistence region of fluid and solid. Choosing a geometry where the system is confined between two flat walls,…

Soft Condensed Matter · Physics 2015-06-04 Debabrata Deb , Alexander Winkler , Peter Virnau , Kurt Binder

We propose a new coarse-grained model for the description of liquid-vapor phase separation of colloid-polymer mixtures. The hard-sphere repulsion between colloids and between colloids and polymers, which is used in the well-known…

Soft Condensed Matter · Physics 2009-11-13 Jochen Zausch , Peter Virnau , Kurt Binder , Juergen Horbach , Richard L. Vink

Phase separation of colloid-polymer mixtures, described by the Asakura-Oosawa (AO) model, confined in a thin slit pore is studied by grand-canonical Monte Carlo simulation. While one wall is a hard wall for both particles, at the other wall…

Soft Condensed Matter · Physics 2007-05-23 A. De Virgiliis , R. L. C. Vink , J. Horbach , K. Binder

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

An extension of the Asakura-Oosawa-Vrij model of hard sphere colloids and non-adsorbing polymers, that takes polymer non-ideality into account through a repulsive stepfunction pair potential between polymers, is studied with grand canonical…

Soft Condensed Matter · Physics 2007-05-23 R. L. C. Vink , M. Schmidt

We present a Monte Carlo method to simulate asymmetric binary mixtures in the grand canonical ensemble. The method is used to study the colloid-polymer model of Asakura and Oosawa. We determine the phase diagram of the fluid-fluid unmixing…

Soft Condensed Matter · Physics 2007-05-23 R. L. C. Vink , J. Horbach

As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model…

Soft Condensed Matter · Physics 2015-10-28 Antonia Statt , Peter Virnau , Kurt Binder

We describe a simulation method for the accurate study of the equilibrium freezing properties of polydisperse fluids under the experimentally relevant condition of fixed polydispersity. The approach is based on the phase switch Monte Carlo…

Soft Condensed Matter · Physics 2009-11-13 Nigel B. Wilding

The structure and the statistical fluctuations of interfaces between coexisting phases in the Asakura-Oosawa (AO) model for a colloid--polymer mixture are analyzed by extensive Monte Carlo simulations. We make use of a recently developed…

Soft Condensed Matter · Physics 2007-05-23 R. L. C. Vink , J. Horbach , K. Binder

The influence of confinement, due to flat parallel structureless walls, on phase separation in colloid-polymer mixtures, is investigated by means of grand-canonical Monte Carlo simulations. Ultra-thin films, with thicknesses between…

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

As first explained by the classic Asakura-Oosawa (AO) model, effective attractive forces between colloidal particles induced by depletion of nonadsorbing polymers can drive demixing of colloid-polymer mixtures into colloid-rich and…

Soft Condensed Matter · Physics 2021-08-27 Alan R. Denton , Wyatt J. Davis

Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…

Condensed Matter · Physics 2007-05-23 R. Hilfer , F. M. Haas

We study a two-dimensional fluid of dipolar hard disks by Monte Carlo simulations in a square with periodic boundary conditions and on the surface of a sphere. The theory of the dielectric constant and the asymptotic behaviour of the…

Soft Condensed Matter · Physics 2015-10-28 Jean-Michel Caillol , Jean-Jacques Weis

A new Monte Carlo approach is proposed to investigate the fluid-solid phase transition of the polydisperse system. By using the extended ensemble, a reversible path was constructed to link the monodisperse and corresponding polydisperse…

Soft Condensed Matter · Physics 2008-07-08 Mingcheng Yang , Hongru Ma

Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a…

Soft Condensed Matter · Physics 2011-06-09 Yuki Norizoe , Toshihiro Kawakatsu

Quantitative theory of interbilayer interactions is essential to interpret x-ray scattering data and to elucidate these interactions for biologically relevant systems. For this purpose Monte Carlo simulations have been performed to obtain…

Biological Physics · Physics 2009-10-31 Nikolai Gouliaev , John F. Nagle

The solid-solid coexistence of a polydisperse hard sphere system is studied by using the Monte Carlo simulation. The results show that for large enough polydispersity the solid-solid coexistence state is more stable than the single-phase…

Soft Condensed Matter · Physics 2009-11-13 Mingcheng Yang , Hongru Ma

Monte Carlo simulations of crystal nuclei coexisting with the fluid phase in thermal equilibrium in finite volumes are presented and analyzed, for fluid densities from dense melts to the vapor. Generalizing the lever-rule for two-phase…

Statistical Mechanics · Physics 2017-11-01 Peter Koß , Antonia Statt , Peter Virnau , Kurt Binder

Colloidal systems are often modelled as fluids of hard particles (possibly with an additional soft attraction, e.g. caused by polymers also contained in the suspension). in simulations of such systems, the virial theorem cannot be…

Soft Condensed Matter · Physics 2015-05-30 Debabrata Deb , Dorothea Wilms , Alexander Winkler , Peter Virnau , Kurt Binder

Using Gibbs ensemble Monte Carlo simulations and density functional theory we investigate the fluid-fluid demixing transition in inhomogeneous colloid-polymer mixtures confined between two parallel plates with separation distances between…

Soft Condensed Matter · Physics 2009-11-11 Andrea Fortini , Matthias Schmidt , Marjolein Dijkstra
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