Student Work

A Density Functional Study of the Hydrophobicity of Silicalite

Público

Conteúdo disponível para baixar

open in viewer

Factors 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
Última modificação
  • 2020-11-20

Relações

Em Collection:

Itens

Itens

Permanent link to this page: https://digital.wpi.edu/show/5712m847p