Chapter 116. Fumed Silica Structure and Particle Aggregation: Computational Modelling and Verification by Vibrational Spectroscopy

  1. Prof. Norbert Auner5 and
  2. Prof. Johann Weis6
  1. V. Khavryutchenko1,
  2. E. Nikitina2,
  3. H. Barthel3,
  4. J. Weis3 and
  5. E. Sheka4

Published Online: 28 APR 2008

DOI: 10.1002/9783527619917.ch116

Organosilicon Chemistry IV: From Molecules to Materials

Organosilicon Chemistry IV: From Molecules to Materials

How to Cite

Khavryutchenko, V., Nikitina, E., Barthel, H., Weis, J. and Sheka, E. (2008) Fumed Silica Structure and Particle Aggregation: Computational Modelling and Verification by Vibrational Spectroscopy, in Organosilicon Chemistry IV: From Molecules to Materials (eds N. Auner and J. Weis), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527619917.ch116

Editor Information

  1. 5

    Inst. für Anorganische Chemie, der Universität Frankfurt, Marie-Curie-Strasse 11, D-60439 Frankfurt am Main, Germany, Phone: 0 69/7 98-29180, -29591, Fax: 069/798-29188

  2. 6

    Wacker-Chemie GmbH, Geschäftsbereich S, Werk Burghausen, Johannes-Hess-Strasse 24, D-84489 Burghausen, Germany

Author Information

  1. 1

    Institute of Surface Chemistry, National Academy of Sciences of Ukraine Kiev, 252028 Ukraine

  2. 2

    Institute of Applied Mechanics, Russian Academy of Sciences Leninshy Prospekt, 31 A, Moscow, 117334 Russia

  3. 3

    Wacker-Chemie GmbH, Werk Burghausen D-84480 Burghausen, Germany

  4. 4

    Russian People's Friendship University, General Physics Department ul. Ordjonikidze, 3, Moscow, 117302 Russia

Publication History

  1. Published Online: 28 APR 2008
  2. Published Print: 17 JAN 2000

ISBN Information

Print ISBN: 9783527298549

Online ISBN: 9783527619917

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Keywords:

  • silica clusters;
  • fumed silica particles;
  • quantum-chemical modeling;
  • semiempirical;
  • vibrational spectroscopy

Summary

This article presents the method of particle formation by dividing a bulk to fine particles. The quantum-chemical level simulation was performed to study step-by-step the conversion process from small parts of a crystal body to small sized silica particles. Vibrational spectroscopy (infrared and inelastic neutron scattering) was used to verify simulated structures.