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Patchy sticky hard spheres: analytical study and Monte Carlo simulations.

Riccardo Fantoni1, Domenico Gazzillo, Achille Giacometti

  • 1Dipartimento di Chimica Fisica, Università di Venezia, S. Marta DD 2137, I-30123 Venezia, Italy. rfantoni@unive.it

The Journal of Chemical Physics
|December 25, 2007
PubMed
Summary

This study models sticky hard spheres, finding that patch size and distribution significantly impact fluid transitions and percolation. Monte Carlo simulations confirm these theoretical predictions for anisotropic attractions.

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Area of Science:

  • Soft Matter Physics
  • Statistical Mechanics
  • Colloid Science

Background:

  • Understanding particle interactions is crucial for modeling complex fluids.
  • Anisotropic attractions are key to describing systems like protein solutions.
  • Hard sphere models with simple attractions provide a foundation for more complex interactions.

Purpose of the Study:

  • To investigate the influence of adhesive patch size and distribution on fluid-fluid transitions and percolation lines.
  • To develop an analytical theory for sticky hard sphere fluids up to third virial order.
  • To compare theoretical predictions with specialized Monte Carlo simulations.

Main Methods:

  • Utilized a virial expansion up to third order.
  • Employed a class of closures (Cn) based on density expansion of the direct correlation function.

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  • Performed specialized Monte Carlo simulations to validate theoretical results.
  • Main Results:

    • The fluid-fluid transition and percolation lines are highly sensitive to total adhesive coverage and its distribution.
    • The analytical theory, though perturbative, captures key qualitative features of critical behavior.
    • Anisotropic attractions significantly alter phase behavior compared to isotropic interactions.

    Conclusions:

    • The distribution and size of adhesive patches on spherical particles critically influence macroscopic fluid properties.
    • The theoretical framework provides a valuable, albeit approximate, tool for predicting phase behavior in anisotropic colloidal systems.
    • This work serves as a foundational step towards more realistic modeling of globular proteins in solution.