The influence of molecular orientation on the ability of water to enter a carbon nanotube at different temperatures

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 orientation of the individual water molecules plays a significant role in determining the temperatures and energies at which water is able to enter the nanotube. 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 publication2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
Pages503-507
Number of pages5
DOIs
Publication statusPublished - Aug 20 2008
Externally publishedYes
Event1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08 - Tainan, Taiwan, Province of China
Duration: Jan 6 2008Jan 9 2008

Publication series

Name2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
VolumePART A

Other

Other1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08
CountryTaiwan, Province of China
CityTainan
Period1/6/081/9/08

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Materials Science(all)
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics

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  • Cite this

    Cannon, J., Moore, N., & Hess, O. (2008). The influence of molecular orientation on the ability of water to enter a carbon nanotube at different temperatures. In 2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008 (pp. 503-507). (2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008; Vol. PART A). https://doi.org/10.1115/MNHT2008-52378