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Related Experiment Videos

Interfacial colloidal sedimentation equilibrium. II. Closure-based density functional theory.

Mingqing Lu1, Michael A Bevan, David M Ford

  • 1Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843-3122, USA.

The Journal of Chemical Physics
|November 6, 2007
PubMed
Summary
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Nonlocal density functional theory accurately predicts colloidal sedimentation equilibrium density profiles for dilute systems. Inverse density functional theory successfully extracts colloid-surface potentials from experimental data.

Area of Science:

  • Colloid and Surface Science
  • Statistical Mechanics
  • Computational Physics

Background:

  • Previous work (Part I) analyzed colloidal sedimentation equilibrium using microscopy, Monte Carlo simulations, and local density approximation.
  • Concentrated colloidal dispersions exhibit complex interfacial behavior.

Purpose of the Study:

  • To extend modeling of colloidal sedimentation equilibrium using nonlocal density functional theory (DFT).
  • To predict interfacial colloidal sedimentation equilibrium density profiles.
  • To investigate the accuracy of DFT in predicting microstructure and extracting colloid-surface potentials.

Main Methods:

  • Utilized a closure-based nonlocal density functional theory (DFT) formulation.
  • Modeled colloid-colloid and colloid-surface interactions using Derjaguin-Landau-Verwey-Overbeek (DLVO) screened electrostatic potentials.

Related Experiment Videos

  • Compared DFT predictions with experimental and Monte Carlo simulation results from Part I.
  • Applied inverse DFT to extract colloid-surface potentials from measured density profiles.

    • Main Results:

    • Nonlocal DFT showed good agreement with experimental and simulation data for dilute interfacial colloidal fluids.
    • Agreement decreased for more concentrated systems with pronounced interfacial layering.
    • Inverse DFT accurately reproduced the true colloid-surface potential for dilute interfacial fluids (within 0.5kT).

    Conclusions:

    • Nonlocal DFT is a valuable tool for predicting interfacial colloidal sedimentation equilibrium, particularly for dilute systems.
    • The method's accuracy diminishes as colloidal layering intensifies.
    • Inverse DFT provides a microscopic approach to determine colloid-surface interactions from density profiles.