A combined experimental and theoretical evaluation of the structure of hydrated microporous aluminophosphate AlPO(sub 4)-18

Article Abstract:

Water absorption in the microporous aluminophosphate AlPO(sub 4)-18 is studied by a combination of solid-state NMR, X-ray diffraction, and density functional theory calculations. Analysis of TGA and NMR results, a combination of DFT geometry optimization and molecular dynamics gives important insights on the structure of H(sub 2)O molecules in the channels of the hydrated aluminophosphate.

Analysis, Molecular dynamics, Nuclear magnetic resonance, Structure

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Flexible aluminum coordination in alumino-silicates. Structures of zeolite H-USY and amorphous silica-alumina

Article Abstract:

The aluminum coordination in zeolite USY is studied as a function of treatment and a comparison with amorphous alumina and silica-alumina is made. It was seen that on the adsorption of ammonia, a considerable amount of aluminum atoms in zeolite H-USY changed their coordination from octahedral to tetrahedral.

Observations, Chemistry, Physical and theoretical, Physical chemistry, Adsorption, Atomic properties

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Effects of fluorination on self-assembled monolayer formation from alkanephosphonic acids on aluminum: kinetics and structure

Article Abstract:

Self-assembled monolayer (SAM) formation on aluminum native oxide is studied using spectroscopy, ellipsometry and contact angle measurements. The compounds used show significantly differences in film structure and film formation kinetics.

Usage, Spectrum analysis, Spectroscopy, Monomolecular films

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