Model analysis of zeolite-like phosphates and their adsorption complexes with water molecules

Autor: I. P. Beletskii, V. E. Klimenko, A. G. Grebenyuk
Rok vydání: 1995
Předmět:
Zdroj: Theoretical and Experimental Chemistry. 30:187-190
ISSN: 1573-935X
0040-5760
DOI: 10.1007/bf00534661
Popis: Molecular models of borophosphates, aluminophosphates, and silicon-containing derivatives of these phosphates have been subjected to quantum-chemical analysis in the MNDO approximation. Bonding energies of these compounds with water molecules have been calculated. Incorporation of silicon atoms into the phosphate matrix increases its hydrophilicity and acidity.
Databáze: OpenAIRE