Critical behaviour and interfacial fluctuations in a phase-separating model colloid-polymer mixture: grand canonical Monte Carlo simulations

被引:48
|
作者
Vink, RLC [1 ]
Horbach, J [1 ]
机构
[1] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany
关键词
D O I
10.1088/0953-8984/16/38/003
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
By using Monte Carlo simulations in the grand canonical ensemble we investigate the bulk phase behaviour of a model colloid-polymer mixture, the so-called Asakura-Oosawa model. In this model the colloids and polymers are considered as spheres with a hard-sphere colloid-colloid and colloid-polymer interaction and a zero interaction between polymers. In order to circumvent the problem of low acceptance rates for colloid insertions, we introduce a cluster move where a cluster of polymers is replaced by a colloid. We consider the transition from a colloid-poor to colloid-rich phase which is analogous to the gas-liquid transition in simple liquids. Successive umbrella sampling, recently introduced by Virnau and Muller (2003 Preprint cond-mat/0306678), is used to access the phase-separated regime. We calculate the demixing binodal and the interfacial tension, also in the region close to the critical point. Finite size scaling techniques are used to accurately locate the critical point. Also investigated are the colloid density profiles in the phase-separated regime. We extract the interfacial thickness omega from the latter profiles and demonstrate that the interfaces are subject to spatial fluctuations that can be understood by capillary wave theory. In particular, we find that, as predicted by capillary wave theory, omega(2) diverges logarithmically with the size of the system parallel to the interface.
引用
收藏
页码:S3807 / S3820
页数:14
相关论文
共 45 条
  • [31] Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture
    Vekeman, Jelle
    Bahamon, Daniel
    Garcia Cuesta, Inmaculada
    Faginas-Lago, Noelia
    Sanchez-Marin, Jose
    Sanchez de Meras, Alfredo
    Vega, Lourdes F.
    NANOMATERIALS, 2021, 11 (10)
  • [32] The interplay between wetting and phase behaviour in binary polymer films and wedges:: Monte Carlo simulations and mean field calculations
    Müller, M
    Binder, K
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (09) : S333 - S361
  • [33] Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations
    Rizza, Fabio
    Rovaletti, Anna
    Carbone, Giorgio
    Miyake, Toshiko
    Greco, Claudio
    Cosentino, Ugo
    INORGANICS, 2023, 11 (11)
  • [34] Microscopic structure and thermodynamics of a core-softened model fluid: Insights from grand canonical Monte Carlo simulations and integral equations theory
    Pizio, Orest
    Dominguez, Hector
    Duda, Yurko
    Sokolowski, Stefan
    JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (17):
  • [35] Statics and dynamics of colloid-polymer mixtures near their critical point of phase separation: A computer simulation study of a continuous Asakura-Oosawa model
    Zausch, Jochen
    Virnau, Peter
    Binder, Kurt
    Horbach, Juergen
    Vink, Richard L.
    JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (06):
  • [36] The interfacial tension and phase diagram of the Widom-Rowlinson mixture via Monte Carlo simulations (vol 128, art no 014712, 2008)
    Djikaev, Yuri
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (16):
  • [37] Structural and thermodynamic properties of the restricted primitive model electrolyte in a mixture with uncharged hard spheres: a grand canonical Monte Carlo simulation and integral equation study
    Luksic, Miha
    Hribar-Lee, Barbara
    Pizio, Orest
    MOLECULAR PHYSICS, 2011, 109 (06) : 893 - 904
  • [38] Phase separation and near-critical fluctuations in two-component lipid membranes: Monte Carlo simulations on experimentally relevant scales
    Ehrig, Jens
    Petrov, Eugene P.
    Schwille, Petra
    NEW JOURNAL OF PHYSICS, 2011, 13
  • [39] Phase Separation and Near-Critical Fluctuations in Two-Component Lipid Membranes: Monte Carlo Simulations on Experimentally Relevant Scales
    Ehrig, Jens
    Petrov, Eugene P.
    Schwille, Petra
    BIOPHYSICAL JOURNAL, 2011, 100 (03) : 507 - 507
  • [40] Incorporation of inhomogeneous ion diffusion coefficients into kinetic lattice grand canonical Monte Carlo simulations and application to ion current calculations in a simple model ion channel
    Hwang, Hyonseok
    Schatz, George C.
    Ratner, Mark A.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (49): : 12506 - 12512