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Liquid flow in surface-nanostructured channels studied by molecular dynamics simulation.

Bing-Yang Cao1, Min Chen, Zeng-Yuan Guo

  • 1Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China. caoby@tsinghua.edu.cn

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|February 7, 2007
PubMed
Summary

Surface nanostructures in nanochannels offer a dual effect on fluid flow, influencing wetting and friction. These structures can enhance or reduce liquid slip, offering potential for controlling nanofluidic friction.

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Area of Science:

  • Nanofluidics
  • Surface Science
  • Computational Physics

Background:

  • Controlling fluid behavior at the nanoscale is crucial for microfluidic and nanofluidic devices.
  • Surface nanostructuring is a key strategy for manipulating wettability and flow dynamics.
  • Understanding the interplay between surface topography and fluid-surface interactions is essential.

Purpose of the Study:

  • To investigate the impact of nanoscale triangular surface structures on fluid wetting and flow in nanochannels.
  • To elucidate the dual effects of surface nanostructures on boundary slip and friction in liquid nanoflow.
  • To explore the potential of nanostructured surfaces for controlling micro- and nanofluidic friction.

Main Methods:

  • Molecular dynamics simulations were employed to model fluid behavior within nanochannels.

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  • Nanochannels with surfaces structured by arrays of nanoscale triangular modules were simulated.
  • Analysis focused on fluid wetting properties, velocity slip, and hydrodynamic disturbances.

    • Main Results:

    • Surface nanostructures exhibited a dual effect: enhancing hydrophilicity/hydrophobicity (lotus effect) and increasing flow blockage.
    • Superhydrophobicity was observed on nanostructured surfaces, leading to significant velocity slip.
    • A nonmonotonic relationship between nanostructure size and slip length was identified due to competing effects.

    Conclusions:

    • Surface nanostructures can be engineered to tune wettability and induce large velocity slips, akin to the lotus effect.
    • The hydrodynamic disturbance caused by nanostructures can counteract slip, leading to complex flow behavior.
    • Surface nanostructuring presents a viable method for actively controlling friction in micro- and nanofluidic systems.