Molecular dynamics study for channel size dependence of shear stress between droplet and wall

Akinori Fukushima, Toshiki Mima, Ikuya Kinefuchi, Takashi Tokumasu

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

In this study, the channel size dependence of the shear stress between water droplets and solid walls in nm-order channel was analyzed. We considered a several different-sized and highly hydrophobic channel whose macroscopic contact angle was about 150 degrees. We have evaluated the shear stress and the normal pressure by molecular dynamics simulation. Analyzing shear stress and normal pressure based on the macroscopic model, we have discussed the difference between the macroscopic model based on hydrodynamics and the microscopic model. As a result, in the high hydrophobic case, it became clear that the shear stress depends on the channel size due to the large Laplace pressure. Furthermore, in the case that the channel size was less than 50 A˚, the normal pressure by the molecular simulation didn't agree with the expected value from the Young-Laplace equation. From this study it was clear that molecular simulation is needed when the channel size is less than 40 A˚.

Original languageEnglish
Pages (from-to)3224-3228
Number of pages5
JournalJournal of Nanoscience and Nanotechnology
Volume15
Issue number4
DOIs
Publication statusPublished - 2015 Apr 1

Keywords

  • Micro channel
  • Molecular dynamics
  • Surface tension

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Biomedical Engineering
  • Materials Science(all)
  • Condensed Matter Physics

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