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On multiscale moving contact line theory.

Shaofan Li1, Houfu Fan1

  • 1Department of Civil and Environmental Engineering , University of California , Berkeley, CA 94720, USA.

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A new multiscale moving contact line (MMCL) theory simulates liquid droplet behavior by coupling molecular forces with microscale hydrodynamics. This approach naturally drives droplet spreading, avoiding traditional simulation issues.

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Area of Science:

  • Fluid dynamics
  • Surface science
  • Materials science

Background:

  • Conventional hydrodynamics theories for moving contact lines face shear stress singularities.
  • Accurate simulation of liquid droplet behavior requires coupling molecular interactions with fluid dynamics.

Purpose of the Study:

  • To present and employ a novel multiscale moving contact line (MMCL) theory.
  • To simulate liquid droplet spreading and capillary motion.
  • To couple molecular-scale adhesive interactions and surface tension with microscale hydrodynamics.

Main Methods:

  • The MMCL theory combines a coarse-grained adhesive contact model with fluid interface membrane theory.
  • It accounts for intermolecular forces (van der Waals or double layer forces) to levitate droplets.
  • Simulations were performed for droplet spreading over various elastic substrates.

Main Results:

  • The MMCL theory successfully simulates liquid droplet spreading and capillary motion.
  • Intermolecular forces levitate droplets, avoiding shear stress singularities.
  • Simulated results show good agreement with molecular dynamics data.

Conclusions:

  • The MMCL theory provides a robust framework for simulating droplet dynamics.
  • It naturally drives droplet spreading by leveraging differences in surface energies and stresses.
  • This approach overcomes limitations of conventional hydrodynamics in modeling moving contact lines.