Spectral properties, formation of dye molecular aggregates, and reactions in Rhoda mine 6G/layered silicate dispersions
Article Abstract:
A series of layered silicates with a systematically modified charge was prepared from a montmorillonite, using the standard method of Li(super +) cation fixation. The effect of the charge of the prepared materials on the optical properties of the adsorbed cationic dye, Rhoda mine 6G was tested. Time difference spectroscopy was applied for the investigation of the reactions, which proceeded in dispersions after mixing the dye solution with silicate.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Ab initio molecular dynamics study of 45S5 bioactive silicate glass
Article Abstract:
Car-Parrinello molecular dynamics (CPMD) simulations are performed on the Bioglass 45S5, the prototype of bioactive melt-quenched silicate glasses. The composition of the valence band and the bottom edge of the conduction band of the bioglass are identified and the different electronic distribution of Si-BO and Si-NBO bonds are discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Structural effects of phosphorus inclusion in bioactive silicate glasses
Article Abstract:
The molecular dynamics simulation studies of four bioactive glasses containing between 0 (P0) and 12 (P12) mol % of [P.sub.2][O.sub.5] is demonstrated. The results provide insight into the structural role of phosphorus to modify the bioactive behavior of the glass.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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