Control of carboxylic acid and ester groups on chromium (VI) binding to functionalized silica/water interfaces studied by second harmonic generation
Article Abstract:
The study is conducted to show how surface-bound carboxylic acid and methyl ester functional group control the interaction of chromate ions with fused silica/water is interfaced. The results predict that chromate retardation increases by up to 200% when carboxylic acid functional groups are presented at the silica/water interface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Cleavage and recovery of molecular water in silica
Article Abstract:
The network response associated with the incorporation and reactivity of water molecules in bulk phases of amorphous and crystalline silica are investigated using density functional theory. The extent of network relaxation is found to change the relative stabilities of the reactant and product states.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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The surface of ordered mesoporous benzene-silica hybrid material: An infrared and ab initio molecular modeling study
Article Abstract:
Joint IR and computational results allow a detailed characterization of the surface properties of a mesoporous benzene-silica hybrid material with crystal-like wall structure. It is suggested that both the inorganic component and the organic one play a role in dictating the surface behavior.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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