The hydrophobic effect: Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces
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The hydrophobic effect : Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces. / Jensen, Morten; Mouritsen, Ole G.; Peters, Günther H.
In: Journal of Chemical Physics, Vol. 120, No. 20, 22.05.2004, p. 9729-9744.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - The hydrophobic effect
T2 - Molecular dynamics simulations of water confined between extended hydrophobic and hydrophilic surfaces
AU - Jensen, Morten
AU - Mouritsen, Ole G.
AU - Peters, Günther H.
PY - 2004/5/22
Y1 - 2004/5/22
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=2942560847&partnerID=8YFLogxK
U2 - 10.1063/1.1697379
DO - 10.1063/1.1697379
M3 - Journal article
AN - SCOPUS:2942560847
VL - 120
SP - 9729
EP - 9744
JO - The Journal of Chemical Physics
JF - The Journal of Chemical Physics
SN - 0021-9606
IS - 20
ER -
ID: 230985680