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
CountryCanada
CityVancouver, BC
Period7/8/077/12/07

Fingerprint

Molecular orientation
Carbon nanotubes
carbon nanotubes
Nanotubes
Molecules
nanotubes
Nanofluidics
water
Water
molecules
Flow of water
Temperature
Water vapor
Density functional theory
temperature
water vapor
density functional theory
energy

All Science Journal Classification (ASJC) codes

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

Cite this

Cannon, J., Moore, N., & Hess, O. (2007). The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube. In 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007 (pp. 65-69). (2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007; Vol. 1). https://doi.org/10.1115/HT2007-32642

The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube. / Cannon, James; Moore, Natalie; Hess, Ortwin.

2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007. 2007. p. 65-69 (2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007; Vol. 1).

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

Cannon, J, Moore, N & Hess, O 2007, The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube. in 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007. 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007, vol. 1, pp. 65-69, 2007 ASME/JSME Thermal Engineering Summer Heat Transfer Conference, HT 2007, Vancouver, BC, Canada, 7/8/07. https://doi.org/10.1115/HT2007-32642
Cannon J, Moore N, Hess O. The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube. In 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007. 2007. p. 65-69. (2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007). https://doi.org/10.1115/HT2007-32642
Cannon, James ; Moore, Natalie ; Hess, Ortwin. / The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube. 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007. 2007. pp. 65-69 (2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007).
@inproceedings{388e335a5b634125b3b7b508b1e75f78,
title = "The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube",
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.",
author = "James Cannon and Natalie Moore and Ortwin Hess",
year = "2007",
month = "12",
day = "1",
doi = "10.1115/HT2007-32642",
language = "English",
isbn = "0791842746",
series = "2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007",
pages = "65--69",
booktitle = "2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007",

}

TY - GEN

T1 - The effect of molecular orientation and temperature on the flow dynamics of water molecules through a carbon nanotube

AU - Cannon, James

AU - Moore, Natalie

AU - Hess, Ortwin

PY - 2007/12/1

Y1 - 2007/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=43449093758&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=43449093758&partnerID=8YFLogxK

U2 - 10.1115/HT2007-32642

DO - 10.1115/HT2007-32642

M3 - Conference contribution

AN - SCOPUS:43449093758

SN - 0791842746

SN - 9780791842744

T3 - 2007 Proceedings of the ASME/JSME Thermal Engineering Summer Heat Transfer Conference - HT 2007

SP - 65

EP - 69

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

ER -