The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions

Allen, Toby; Kuyucak, Serdar; Chung, Shin-Ho

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The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions

Date

1999

Authors

Allen, Toby

Kuyucak, Serdar

Chung, Shin-Ho

Publisher

American Institute of Physics (AIP)

Abstract

Molecular dynamics simulations are carried out to determine the effects of channel wall structure on water and ion properties. We compare hydrophobic (Lennard-Jones 5-3 and atomic) and molecular-hydrophilic cylindrical pores of 2-6 Å in effective radius,

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http://hdl.handle.net/1885/91797

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ANU Research Publications

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Journal of Chemical Physics

Type

Journal article

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Open Access

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The effect of hydrophobic and hydrophilic channel walls on the structure and diffusion of water and ions

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