TY - GEN
T1 - The influence of molecular orientation on the ability of water to enter a carbon nanotube at different temperatures
AU - Cannon, James
AU - Moore, Natalie
AU - Hess, Ortwin
PY - 2008/8/20
Y1 - 2008/8/20
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 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.
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 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.
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U2 - 10.1115/MNHT2008-52378
DO - 10.1115/MNHT2008-52378
M3 - Conference contribution
AN - SCOPUS:49449110370
SN - 0791842924
SN - 9780791842928
T3 - 2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
SP - 503
EP - 507
BT - 2008 Proceedings of the ASME Micro/Nanoscale Heat Transfer International Conference, MNHT 2008
T2 - 1st ASME Micro/Nanoscale Heat Transfer International Conference, MNHT08
Y2 - 6 January 2008 through 9 January 2008
ER -