Intracrystalline diffusion of linear and branched alkanes in the zeolites TON, EUO and MFI
Article Abstract:
The diffusion constants and activation energy of linear and branched alkanes of zeolites TON,EUO and MFI were accurately determined through molecular dynamics simulations. The channel systems of these zeolites were found to have different dimensions, wall structures and connectivity. TON channels were found to have no distinctive features. Zeolites are microporous crystalline materials that are commonly used in molecular separation and catalysis processes. Zeolites function as molecular sieves by restricting the diffusion of certain molecules from a reaction site.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Molecular dynamics studies of hydrated zeolite 4A
Article Abstract:
Research exploring molecular dynamics simulations of water diffusion in zeolite 4A is presented.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
User Contributions:
Comment about this article or add new information about this topic:
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