Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes

Gerhard Hummer

doi:10.1117/12.580242

19 January 2005 Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes

Gerhard Hummer

Author Affiliations +

Proceedings Volume 5592, Nanofabrication: Technologies, Devices, and Applications; (2005) https://doi.org/10.1117/12.580242
Event: Optics East, 2004, Philadelphia, Pennsylvania, United States

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.

Citation Download Citation

Gerhard Hummer "Simulations of nanoscale flow: water, proton, and biopolymer transport through carbon nanotube membranes", Proc. SPIE 5592, Nanofabrication: Technologies, Devices, and Applications, (19 January 2005); https://doi.org/10.1117/12.580242

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