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Temperature-dependent wettability on a titanium dioxide surface Jae Hyun Park1
 

Summary: Temperature-dependent wettability on a titanium dioxide surface
Jae Hyun Park1
and N.R. Aluru*
Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at
Urbana-Champaign, Urbana, IL 61801, USA
( Received 30 April 2008; final version received 8 August 2008 )
Controlling surface wettability, expressed in terms of contact angle, is a significant issue in nanotechnology. In this paper,
through extensive molecular dynamics simulations, we show that the contact angle of water droplet on a TiO2 surface is
considerably influenced by the temperature variations, i.e. as the temperature increases, the contact angle decreases and the
surface becomes more hydrophilic. We address the issue of accurate force fields and determine the partial charges that can
closely reproduce the experimental contact angle. Detailed understanding of the temperature-dependent variation of contact
angle is developed by hydrogen bonding analysis.
Keywords: wettability; contact angle; TiO2 surface; force field; molecular dynamics simulation
1. Introduction
Wettability of solid substrates plays a significant role in
many applications such as coatings, tunable surfaces,
design of superhydrophobic surfaces, etc. [1]. With rapid
advances in nanotechnology, fluidic devices are being
miniaturised to nanometre scale also referred to as
nanofluidic devices. Since the surface properties scale as

  

Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign

 

Collections: Engineering; Materials Science