Student Work
A Density Functional Study of the Hydrophobicity of Silicalite
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open in viewerFactors that influence water adsorption in silicalite were studied. It was found that the energy of adsorption becomes less stable as water molecules are loaded in the silicalite structure. A structure with one water molecule was found to have an energy of -14.42KJ/mol while one with three molecules was -8.6 KJ/mol. It was also demonstrated that water prefers to diffuse through the larger 10 ring channels as opposed to the small 4 ring channels.
- This report represents the work of one or more WPI undergraduate students submitted to the faculty as evidence of completion of a degree requirement. WPI routinely publishes these reports on its website without editorial or peer review.
- Creator
- Publisher
- Identifier
- E-project-042810-121917
- Advisor
- Year
- 2010
- Date created
- 2010-04-28
- Resource type
- Major
- Rights statement
- 最新修改
- 2020-11-20
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