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Dynamic density functional theory with hydrodynamic interactions and fluctuations.

Aleksandar Donev1, Eric Vanden-Eijnden1

  • 1Courant Institute of Mathematical Sciences, New York University, New York, New York 10012, USA.

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Summary
This summary is machine-generated.

We developed a new equation for colloidal particle concentration, accounting for fluid interactions. This model captures both average behavior and microscopic fluctuations, revealing distinct behaviors even without direct particle interactions.

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Area of Science:

  • Statistical Mechanics
  • Soft Matter Physics
  • Colloidal Science

Background:

  • Dynamic Density Functional Theory (DDFT) models colloidal particle dynamics.
  • Existing DDFT models often simplify or neglect hydrodynamic interactions.
  • Understanding fluctuations is crucial for accurately describing colloidal systems.

Purpose of the Study:

  • To derive a closed equation for colloidal particle concentration including hydrodynamic and direct interactions.
  • To incorporate microscopic fluctuations into DDFT.
  • To analyze the impact of hydrodynamic correlations on particle diffusion.

Main Methods:

  • Derivation of a functional Langevin equation for empirical concentration.
  • Ensemble averaging to recover deterministic DDFT.
  • Separation of ideal and interaction contributions to concentration.
  • Analysis of stochastic terms in fluctuating DDFT.

Main Results:

  • The derived equation reproduces known DDFT results and describes microscopic fluctuations.
  • In the absence of direct interactions, mean concentration follows Fick's law.
  • Hydrodynamically-correlated and uncorrelated walkers exhibit distinct stochastic terms and fluctuation behaviors.
  • The fluid's role in collective diffusion of colloidal suspensions is highlighted.

Conclusions:

  • The new model provides a more comprehensive description of colloidal particle dynamics by including hydrodynamic effects.
  • Fluctuations around Fick's law are significantly influenced by hydrodynamic correlations.
  • Eliminating the fluid from consideration is not feasible for accurate collective diffusion modeling in colloidal suspensions.