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

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-bystep 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. © 2008 VCH Verlagsgesellschaft mbH. All rights reserved..

Авторы
Khavryutchenko V.1 , Nikitina E. 2 , Barthel H.3, 4 , Weis J.3, 4, 5 , Sheka E. 6
Издательство
Wiley
Язык
Английский
Страницы
734-738
Статус
Опубликовано
Год
2008
Организации
  • 1 Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Kiev, 252028, Ukraine
  • 2 Institute of Applied Mechanics, Russian Academy of Sciences, Leninshy Prospekt, 31A, Moscow, Russian Federation
  • 3 Wacker-Chemie GmbH, Werk Burghausen, Burghausen, D-84480, Germany
  • 4 Wacker-Chemie GmbH, Geschäftsbereich S, Werk Burghausen, Johannes-Heß-Str. 24, Burghausen, D-84489, Germany
  • 5 Consortium of Electrochemical Industry GmbH, Zielstattstraße 20, Munich, 81379, Germany
  • 6 Russian People's Friendship University, General Physics Department, ul. Ordjonikidze, 3, Moscow, 117302, Russian Federation
Ключевые слова
Fumed silica particles; Quantum-chemical modeling; Semiempirical; Silica clusters; Vibrational spectroscopy
Дата создания
19.10.2018
Дата изменения
19.10.2018
Постоянная ссылка
https://repository.rudn.ru/ru/records/article/record/3096/