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hydrolysis of amorphous silica

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Uploaded by on Apr 4, 2008

hydrolysis of amorphous silica

red: oxygen
white: hydrogen
yellow: silicon

This movie shows a constraint molecular dynamics simulation, in which a water molecule attacks Si-O bond in silica glass.

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Science & Technology

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Standard YouTube License

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Uploader Comments (cacsmovie)

  • Is it computational molecular dynamics? I thought the mechanism on this hydrolysis was initiated by a nucleophilic attack promoted by the water oxigen on the silicon atom and not a electrophilic one with the hidrogen attacking the silica oxigen. Am I right or the model in the video you posted???

  • This is a constraint-MD simulation, in which oxygen and hydrogen atoms are gradually moved closer by applying an artificial sprig force. By doing so, we can roughly estimate the energy barrier of the specific event.

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  • now i get it lol....thanks for puttin up these videos man im a visual person

  • Nice video!!!

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