A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory

Article Abstract:

Periodic density functional theory is used for characterizing the differences in the structural, Lewis acidic and hydrophilic properties of Sn-BEA and Ti-BEA. The structural analysis has shown that the first coordination shell of Sn is larger than that of Ti and the Fukui functions and charge population analysis are used for explaining the higher Lewis acidity of Sn than the Ti site.

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Zeolites, Analysis, Oxidation-reduction reaction, Oxidation-reduction reactions, Density functionals, Density functional theory, Titanium compounds, Mechanical properties, Structure, Lewis structures

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Contribution of intramolecular C=O...H-N hydrogen bonding to the solvent-induced reentrant phase separation of poly(N-isopropylacryamide)

Article Abstract:

The impact of the intramolecular C=O...H-N hydrogen bonding on the solvent-induced reentrant phase separation of poly (N-isopropylacrylamide) (PNiPA) is analyzed.

All Other Basic Organic Chemical Manufacturing, Industrial Organic Chemicals, Acrylamides, Hydrogen bonding, Hydrogen bonds, Acrylamide

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