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Dynamical density functional theory for anisotropic colloidal particles.

M Rex1, H H Wensink, H Löwen

  • 1Institut für Theoretische Physik II: Weiche Materie, Heinrich-Heine-Universität Düsseldorf, 40225 Düsseldorf, Germany.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|October 13, 2007
PubMed
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Dynamical density functional theory now models anisotropic colloidal particles

Area of Science:

  • Colloid Science
  • Soft Matter Physics
  • Statistical Mechanics

Background:

  • Brownian dynamics typically models simple spherical particles.
  • Anisotropic particles exhibit complex translational and rotational motion.
  • Confined systems introduce unique particle ordering behaviors.

Purpose of the Study:

  • Generalize dynamical density functional theory (DDFT) for anisotropic particles.
  • Investigate orientational ordering and relaxation in confined rod suspensions.
  • Compare theoretical predictions with Brownian dynamics simulations.

Main Methods:

  • Extended DDFT to include rotational Brownian motion.
  • Employed mean-field approximation for density functional.
  • Utilized a Gaussian-segment model for rod interactions.

Related Experiment Videos

  • Simulated concentrated rod suspensions confined by soft walls.

    • Main Results:

    • Observed distinct orientational ordering during wall expansion (parallel) and compression (perpendicular).
    • Found non-exponential relaxation dynamics in confined rod suspensions.
    • Demonstrated differing dynamics when external fields are applied or removed.
    • Achieved good agreement between DDFT predictions and simulation data.

    Conclusions:

    • The generalized DDFT accurately describes anisotropic particle dynamics in confinement.
    • Confinement and external fields significantly influence particle ordering and relaxation.
    • The study provides a robust theoretical framework for complex colloidal systems.