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Proceedings Paper

Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes
Author(s): Gerhard Hummer
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Paper Abstract

The transport of water, protons, and nucleic acids through carbon nanotubes was studied with all-atom molecular dynamics simulations. Water is found to fill even narrow pores of sub-nanometer diameter, but the filling is sensitive to the strength of attractive pore-water interactions. Motions of the resulting water wires is fast on a molecular scale. Protons were also found to move rapidly along one-dimensionally ordered water chains with a hopping mechanism. The transport of nucleic acids through nanotube membranes is dominated by polymer conformational dynamics during entry, and hydrophobic attachment to the pore walls during exit.

Paper Details

Date Published: 19 January 2005
PDF: 6 pages
Proc. SPIE 5592, Nanofabrication: Technologies, Devices, and Applications, (19 January 2005); doi: 10.1117/12.580242
Show Author Affiliations
Gerhard Hummer, National Institutes of Health (United States)

Published in SPIE Proceedings Vol. 5592:
Nanofabrication: Technologies, Devices, and Applications
Warren Y-C. Lai; Stanley Pau; O. Daniel Lopez, Editor(s)

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