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The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces

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Characterization of water confined between extended hydrophobic and hydrophilic crystalline surfaces was investigated using high level molecular dynamics simulations. The ordering is characeteristically different between the surfaces and of longer range at the hydrophilic surface. The simulations provide structural and dynamic insight into the microscopic mechanisms governing the behavior of water molecules. The results show that the dynamical properties of water in the vicinity of an extended hydrophobic surface are more indicative of the hydrophobic effect than structural ordering.

OriginalsprogEngelsk
TidsskriftJournal of Chemical Physics
Vol/bind120
Udgave nummer20
Sider (fra-til)9729-9744
Antal sider16
ISSN0021-9606
DOI
StatusUdgivet - 22 maj 2004

ID: 230985680