Incorporation of Co(II) in dealuminated BEA zeolite at lattice tetrahedral sites evidenced by XRD FTIR, diffuse Reflectance UV-Vis, EPR, and TPR
Article Abstract:
A CoSiBEA zeolite is prepared by a two-type postsynthesis method that consists of first creating vacant T-sites with associated silanol groups by dealumination of tetraethylammonium (TEABEA) zeolite with nitric acid and then impregnating the resulting SiBEA zeolite with an aqueous solution of Co(NO3)2. The very high reduction temperature (1120 K) of cobalt in CoSiBEA zeolite determined by TPR confirms that Co interacts strongly with the zeolite support, consistent with lattice tetrahedral [(T).sub.d] coordination.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Adsorption of methanol on zeolites X and Y: An atomistic and quantum chemical study
Article Abstract:
The adsorption of methanol at three interstitial alkali cation sites, SI, SII, SIII, within the zeolite X ad Y framework is investigated. The most favorable adsorption sites of methanol in basis zeolites X and Y are identified with the Monte Carlo docking method, and quantum chemical cluster calculations are employed to reveal geometry parameters and adsorption energies.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Tetrahedral distortion and energetic packing penalty in 'zeolite' frameworks: Linked phenomena?
Article Abstract:
A computational study on the distortion of SiO4 tetrahedra in zeolite frameworks is presented. The absence of tetrahedral distortion is found to be essential for the success of hydrothermal synthesis as none of the experimentally synthesized or naturally occurring frameworks are tetrahedrally distorted.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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