Analysis on wetting and local dynamic properties of single water droplet on a polarized solid surface: A molecular dynamics study

D. Surblys, Y. Yamaguchi, K. Kuroda, T. Nakajima, H. Fujimura

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Molecular dynamics simulations of single water droplets on a solid surface were carried out in order to investigate the effects that the Coulomb interaction between liquid and solid molecules has on wetting behavior by appending vertical electric polarization on a solid surface. The water droplet became more wettable both on upward and downward polarized surfaces, although structures of the adsorption layer appearing near the solid surface were clearly different, and the relation between droplet contact angle and surface polarization was also different for upward and downward polarization directions. The probability density distribution of molecular orientation around the adsorption layer indicated that preferable water molecule orientations varied largely by the surface polarization, and the rotational mobility around the preferable orientations was also affected. The dynamic property due to this rotational mobility was clearly captured by means of distribution of rotational diffusion coefficient, which potentially corresponded to local viscosity distribution.

Original languageEnglish
Article number014703
JournalJournal of Chemical Physics
Volume135
Issue number1
DOIs
Publication statusPublished - 2011 Jul 7
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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