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Water at hydrophobic interfaces
Water on hydrohobic surfaces forms droplets with high contact angles. These surfaces interact only weakly with water, and unsatisfied hydrogen bonds at the surface are energetically unfavorable. The water molecules orient themselves at the surface, and there is a remarkable layer of reduced density at the interface.
We use molecular dynamics simulations to study the properties of water at different hydrophobic surfaces like hydrogen-terminated diamond or SAMs of alkanes and fluoroalkanes. Structural and dynamic properties are obtained.
Water droplet with high contact angle
on a fluorinated hydrocarbon monolayer.
Publications:
Mezger, M.; Sedlmeier, F.; Horinek, D.; Reichert, H., Pontoni, D.; Dosch, H.
On the origin of the hydrophobic water gap: An X-ray reflectivity and MD simulation study.
J. Am. Chem. Soc. 2010, 132, 6735.
Sendner, C.; Horinek, D.; Bocquet, L.; Netz, R. R.
Interfacial water at hydrophobic and hydrophilic surfaces: slip, viscosity, and diffusion.
Langmuir, 2009, 25, 10678.
Sedlmeier, F.; Janecek, J.; Sendner, C.; Netz, R. R.; Horinek, D.
Water at polar and non-polar solid walls.
Biointerphases 2008 3, FC23.
