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Hydration Shell Dynamics of a Hydrophobic Particle




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Published on Sep 17, 2007

The movie captures 5 picoseconds of a molecular dynamics simulation of a hydrophobic Xenon particle dissolved in liquid water at 275 K and ambient pressure conditions. Shown are the water molecules in the hydration shell, as well as the fluctuating hydrogen bond network. Note the volatility of the hydrogen bond network, and the preferential straddling geometry adopted by the first shell water molecules, trying to keep the hydrogen bond network intact. The position of the "camera" is rotating around the hydrophobic particle and moving with the freely diffusing Xenon particle.


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