Research
Hydrophobic interactions play a central role in many chemical, biological and technological processes. The hydrophobic effect is related to the disruption of the hydrogen bond network in water. Details of the water structure around hydrophobic solute depend on the size of the hydrophobic species. Although the nature of hydrophobic forces is well understood, little is known about the kinetics of hydrophobic interactions. Recently, atomic force microscopy has been employed to explore the strength of hydrophobic interactions between hexadecane and fullerene molecules. We utilize all-atom Moleculal Dynamics (MD) simulations and theoretical models to describe the formation and rupture of the "hydrophobic bonds".
Figure. Hydrophobic interactions between two hexadecane molecules. Also shown is a splash of water while one hexadecane molecule is being pushed towards the other.
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