Artikel,
The hydrophobicity of nanostructured alkane and perfluoro alkane surfaces: A comparison by molecular dynamics simulation
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 7 (17): 3191-3196 (2005)
DOI: {10.1039/b504811g}
Zusammenfassung
In this contribution we investigate the differences in the
hydrophobicity of a perfluoro-n-eicosane crystal and the n-eicosane
crystal by molecular dynamics simulation. The results were analysed in
terms of density of water at the interface, the chemical potential of
water at the interface and the orientational ordering of water at the
interface. The perfluoro-n-eicosane crystal-water interface is found to
have a less density, higher chemical potential and a weaker
orientational ordering at the interface than the corresponding
n-eicosane crystal.
