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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

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Published on: December 4, 2017

A dynamic density functional theory for particles in a flowing solvent.

Markus Rauscher¹, Alvaro Domínguez, Matthias Krüger

¹Max-Planck-Institut für Metallforschung, Heisenbergstr. 3, D-70569 Stuttgart, Germany. rauscher@mf.mpg.de

The Journal of Chemical Physics

|January 1, 2008

Summary

This summary is machine-generated.

We developed an advected dynamic density functional theory (dDFT) for flowing solvents. This new model significantly reduces particle density waves around obstacles, lowering friction forces on colloids.

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Area of Science:

Computational physics
Soft matter physics
Fluid dynamics

Background:

Dynamic density functional theory (dDFT) is crucial for simulating particle systems.
Existing dDFT models often neglect solvent flow effects.
Understanding particle behavior in flowing solvents is vital for colloid and polymer science.

Purpose of the Study:

To introduce a novel advected dynamic density functional theory (dDFT) that incorporates solvent flow.
To investigate the impact of advection on particle density distributions around obstacles.
To analyze the resulting changes in friction forces on obstacles in flowing systems.

Main Methods:

Development of an advected dDFT framework.
Application of the advected dDFT to Brownian particles near a spherical obstacle in a flowing solvent.
Comparison of advected dDFT results with Brownian dynamics simulations.

Main Results:

The advected dDFT qualitatively captures particle behavior in flowing solvents.
Particle density "bow waves" and wakes around obstacles are significantly reduced compared to non-advected models.
The deformation of the solvent flow by the obstacle is shown to be critical.

Conclusions:

The advected dDFT provides a valuable tool for studying particle dynamics in flowing solvents.
Accounting for flow advection dramatically alters particle distribution and reduces hydrodynamic interactions.
This approach has significant implications for understanding friction and transport in complex fluids.