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Microscopic aspects of wetting using classical density functional theory.

P Yatsyshin1, M-A Durán-Olivencia, S Kalliadasis

  • 1Department of Chemical Engineering, Imperial College London, London, SW7 2AZ, United Kingdom.

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Summary
This summary is machine-generated.

This study explores liquid wetting phenomena using a microscopic density-functional framework. It reveals complex fluid behaviors and phase transitions on various structured surfaces, even simple ones.

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Area of Science:

  • Surface science
  • Physical chemistry
  • Materials science

Background:

  • Wetting is crucial for liquid nucleation on interfaces.
  • Substrate structure and intermolecular forces create diverse fluid configurations like films, nanodrops, and bridges.
  • These configurations are linked to phase transitions near solid-gas interfaces.

Purpose of the Study:

  • To demonstrate a microscopic classical density-functional framework for exploring wetting phenomena.
  • To systematically investigate the phase space of wetting.
  • To analyze fluid configurations and phase transitions on structured substrates.

Main Methods:

  • Utilizing a fully microscopic classical density-functional framework.
  • Performing density-functional computations.
  • Modeling prototype systems including planar, chemically patterned, and wedge substrates.

Main Results:

  • The framework efficiently explores the rich phase space of wetting.
  • Complex and non-trivial behaviors of the solid-gas interface were observed.
  • Diverse fluid configurations (films, nanodrops, bridges) were analyzed.

Conclusions:

  • The density-functional approach provides a rational and systematic method for studying wetting.
  • Even simple substrates exhibit complex interfacial phenomena.
  • This framework is valuable for understanding nanoscale fluid behavior and phase transitions.