The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube

James Cannon, Natalie Moore, Ortwin Hess

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Temperature plays a significant role in determining the dynamics of flow on the nanoscale. This is particularly important with carbon nanotubes, which are likely to form an integral part of future nanofluidic and biological devices. We demonstrate through first-principles density-functional theory (DFT) that the energies and temperatures at which individual water molecules are able to enter the nanotube depends very strongly on their orientation. This has a number of implications for the flow of water through the nanotube at different temperatures and densities, particularly when considering low-density water vapour.

Original languageEnglish
Title of host publication2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007
Pages65-69
Number of pages5
DOIs
Publication statusPublished - Dec 1 2007
Externally publishedYes
Event2007 ASME/JSME Thermal Engineering Summer Heat Transfer Conference, HT 2007 - Vancouver, BC, Canada
Duration: Jul 8 2007Jul 12 2007

Publication series

Name2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007
Volume1

Other

Other2007 ASME/JSME Thermal Engineering Summer Heat Transfer Conference, HT 2007
Country/TerritoryCanada
CityVancouver, BC
Period7/8/077/12/07

All Science Journal Classification (ASJC) codes

  • Electrical and Electronic Engineering
  • Mechanical Engineering
  • Condensed Matter Physics

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