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A density functional theory for colloids with two multiple bonding associating sites.

Amin Haghmoradi1, Le Wang, Walter G Chapman

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This study extends Wertheim

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Area of Science:

  • Colloid science
  • Statistical mechanics
  • Physical chemistry

Background:

  • Wertheim's multi-density formalism is a key theory for understanding colloidal fluids.
  • Previous models often simplified the bonding interactions of colloidal particles.

Purpose of the Study:

  • To extend Wertheim's theory for patchy colloidal fluids with multiple bonding sites.
  • To develop a density functional theory for predicting the behavior of associating inhomogeneous fluids.

Main Methods:

  • Developed a density functional theory based on Wertheim's multi-density formalism.
  • Incorporated the formation of cyclic, branched, and linear clusters.
  • Analyzed density profiles and colloid bonding states near a wall.

Main Results:

  • The equation of state depends on patch size and accounts for various cluster formations.
  • Predicted density profiles and bonding state fractions as functions of bulk density and temperature.
  • Demonstrated good agreement with Monte Carlo simulations and previous theories for simpler systems.

Conclusions:

  • The extended theory accurately describes patchy colloidal fluids with multiple bonding sites.
  • Provides a robust framework for studying confined associating fluids.
  • Offers insights into the structural and thermodynamic properties of complex colloidal systems.