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

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

SN - 0021-9606

VL - 120

SP - 9729

EP - 9744

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 20

ER -