Reaction Kinetics and Catalysis Letters

, Volume 38, Issue 1, pp 21–26 | Cite as

Quantum-chemical investigation of the nature of Al2O3 adsorption and catalytic centers at low coverages

  • L. G. Gorb
  • V. M. Gunko
  • V. V. Goncharuk
  • S. A. Karakhim
Article
Received:
Accepted:

Abstract

Data obtained using the nonempirical SCF MO LCAO method in STO-3G/3-21G basis show that to interpret the experimental adsorption heats on Al2O3, it is unnecessary to apply the concept of the existence of charged Al−O+ and Al(OH) 2 + centers.

Keywords

Physical Chemistry Al2O3 Catalysis Experimental Adsorption Catalytic Center 
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.

Abstract

Неэмпирическим методом ССП МО ЛКАО в базисе 3-21ГФ/ОСТ-3ГФ показано, что для интерпретации экспериментально наблюдаемого интервала теплот адсорбции на Al2O3 привлечения представлений о существовании заряженных центров типа AlO+, Al(OH) 2 + не требуется.

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References

  1. 1.
    G.M. Zhidomirov, I.D. Mikheikin: Itogi Nauki i Tekhniki, VINITI Akad. Nauk SSSR,9, 3 (1984)Google Scholar
  2. 2.
    V.B. Kazanskii: Kinet. Katal.,28, 47 (1987)Google Scholar
  3. 3.
    H. Knözinger, P. Ratnusamy: Catal. Rev. Sci. Eng.,17, 31 (1975)Google Scholar
  4. 4.
    V.V. Goncharuk: Thesis, Kiev 1986.Google Scholar
  5. 5.
    K.V. Topchieva, Kho Shi Tkhoang: Activity and Physico-Chemical Properties of High Silica Zeolite Catalysts. MGU, Moskva 1976.Google Scholar
  6. 6.
    G. Della Gutt, F. Fabini, G. Verturello: Colloq. Int. CNRS,201, 565 (1972)Google Scholar
  7. 7.
    D.G. Giuseppe, F. Bin, V. Giovanni: Chim. Phys. Phys. Chim. Biol.,70, 64 (1973)Google Scholar
  8. 8.
    G. Busca, P.F. Rossi, V. Lorenzelli, M. Bonaissa, J.C. Lavalley: J. Phys. Chem.,89, 5433 (1985)Google Scholar
  9. 9.
    V.B. Kazanskii: Structure and Reactivity of Modified Zeolites. Elsevier Science Publishers, B.V. Amsterdam 1984.Google Scholar
  10. 10.
    V.M. Zelenkovskii: Thesis, Moskva 1966.Google Scholar

Copyright information

© Akadémiai Kiadó 1989

Authors and Affiliations

  • L. G. Gorb
    • 1
  • V. M. Gunko
    • 1
  • V. V. Goncharuk
    • 1
  • S. A. Karakhim
    • 1
  1. 1.Institute of Colloid and Water ChemistryKievUSSR

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