Molecular Dynamics Simulations of Water Nanodroplets on Silica Surfaces

Harvey A Zambrano, Jens Honore Walther, Richard L. Jaffe

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Abstract

Wetting is essential and ubiquitous in a variety of natural and technological processes.1,2,3 Silicon dioxides-water systems are abundant in nature and play fundamental roles in a vast variety of novel science and engineering activities such as silicon based devices, nanoscale lab on a chip systems and DNA microarrays technologies.4,5,6,7,8 Although extensive experimental, theoretical and computational work has been devoted to study the nature of the interaction between silica and water,2,9-16 at the molecular level a complete understanding of silica-water systems has not been reached. Contact angle computations of water droplets on silica surfaces offers a useful fundamental and quantitative measurement in order to study chemical and physical properties of water-silica systems.3,16,17,18 For hydrophobic systems the static and dynamic properties of the fluid-solid interface are influenced by the presence of air. Hence, nanobubles have been observed and proposed as the origin of long range ``hydrophobic'' forces19-30 even for hydrophilic silica-water interfaces unusual phenomena related to nanobubbles have been observed.31-33 In this work we study the role of air on the wetting of amorphous silica-water systems.
Original languageEnglish
Title of host publication17th Interdisciplinary Surface Science Conference : ISSC 17
Number of pages147
Volume1
Place of Publication76 Portland Place, London W1B 1NT, UK
PublisherRoyal Society of Chemistry
Publication date2009
Edition17
Publication statusPublished - 2009
Event17th Interdisciplinary Surface Science Conference - University of Reading, Reading, United Kingdom
Duration: 30 Mar 20092 Apr 2009
Conference number: 17
http://www.iop.org/events/scientific/conferences/y/09/issc/

Conference

Conference17th Interdisciplinary Surface Science Conference
Number17
LocationUniversity of Reading
CountryUnited Kingdom
CityReading
Period30/03/200902/04/2009
Internet address

Keywords

  • Nanofludics
  • Molecular Dynamics
  • Silica-water interface

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