COMPUTATIONAL MODELING OF AMORPHOUS SILICA .4. MODELING THE INITIAL STRUCTURES - AEROGEL

Authors
KHAVRYUCHENKO VD SHEKA EF
Citation
Vd. Khavryuchenko et Ef. Sheka, COMPUTATIONAL MODELING OF AMORPHOUS SILICA .4. MODELING THE INITIAL STRUCTURES - AEROGEL, Journal of structural chemistry, 35(3), 1994, pp. 305-308
Citations number
11
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
35
Issue
3
Year of publication
1994
Pages
305 - 308
Database
ISI
SICI code
0022-4766(1994)35:3<305:CMOAS.>2.0.ZU;2-5
Abstract
A qualitative classification algorithm for constructing large clusters of aerogel model structures is used. According to this algorithm, aer ogel is classified with polysilicas characterized by a packing of long chains of silicon-oxygen tetrahedra. A model of the aerogel structure is suggested, according to which aerogel is described as a set of cro ss-linked chains forming double or more complex ribbons. This model is in agreement with the conclusions drawn from analysis of the vibratio n spectra of its components.