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Wetting transitions on patterned surfaces with diffuse interaction potentials embedded in a Young-Laplace

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  • 1School of Chemical Engineering, National Technical University of Athens, Zografou Campus, Athens 15780, Greece.

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This study introduces a new method to calculate energy barriers for wetting transitions on complex surfaces. This helps evaluate superhydrophobic performance and design better patterns.

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Area of Science:

  • Surface Science
  • Materials Science
  • Computational Physics

Background:

  • Wetting transitions on complex surfaces, like pillared arrays, are challenging to model.
  • The unmodified Young-Laplace equation struggles with abrupt geometric features.
  • Superhydrophobic surfaces can transition from Cassie-Baxter to Wenzel states, losing their water-repellent properties.

Purpose of the Study:

  • To develop a computational method for calculating Minimum Energy Paths (MEPs) of wetting transitions on pillared surfaces.
  • To accurately model liquid-solid interactions on complex surface patterns.
  • To quantify energy barriers for wetting transitions, aiding in the evaluation of superhydrophobic performance.

Main Methods:

  • Augmenting the Young-Laplace equation with a pressure term for liquid-solid interactions.
  • Smoothing interactions over a short range to facilitate numerical solutions.
  • Coupling the augmented Young-Laplace equation with the modified string method to compute MEPs.
  • Extracting energy barriers from the computed MEPs.

Main Results:

  • Successfully computed MEPs for wetting transitions on pillared surfaces.
  • Demonstrated the method on the Cassie-Baxter to Wenzel state transition on a superhydrophobic surface.
  • Quantified the energy barriers, representing the system's resistance to wetting transitions.

Conclusions:

  • The developed method enables practical numerical solutions for wetting on complex surfaces.
  • Computed energy barriers provide a metric for superhydrophobic performance.
  • The findings offer guidelines for designing optimized superhydrophobic surface patterns.