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Diffusion of a Hydrogen Atom in Water




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Published on Sep 17, 2007

The movie captures 5 picoseconds of a molecular dynamics simulation of a metastable "hydrophobic" hydrogen atom dissolved in liquid water at 300 K and ambient pressure conditions. Shown is the fluctuating hydrogen bond network of water embedding the H-particle. The oxygen atoms of the water molecules represent the vertices of the network. Note that the small H particle is quickly exploring the accessible free volume left over by the water molecules. The "open" water network structure permits the H-particle to adopt a diffusion coefficient being about three to four times larger than the diffusion coefficient of water itself.


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