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

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  • Morten Jensen
  • Ole G. Mouritsen
  • Günther H. Peters

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.

Original languageEnglish
JournalJournal of Chemical Physics
Volume120
Issue number20
Pages (from-to)9729-9744
Number of pages16
ISSN0021-9606
DOIs
Publication statusPublished - 22 May 2004

ID: 230985680