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Theoretical and Experimental Chemistry

, Volume 30, Issue 4, pp 187–190 | Cite as

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

  • I. P. Beletskii
  • A. G. Grebenyuk
  • V. E. Klimenko
Article
  • 27 Downloads

Abstract

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.

Keywords

Phosphate Silicon Water Molecule Acidity Molecular Model 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Publishing Corporation 1995

Authors and Affiliations

  • I. P. Beletskii
    • 1
  • A. G. Grebenyuk
    • 1
  • V. E. Klimenko
    • 1
  1. 1.Institute of Surface ChemistryNational Academy of Sciences of Ukraine 31KievUkraine

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