Theoretical analysis of thermal destruction of dimethyl phosphates immobilized on dispersed silica surface

The calculations on the electronic and space structure have been carried out for both trimethyl phosphate molecule and that supported at silica surface within the frameworks of the SCF MO LCAO MNDO valence approximation. The routes of these systems destruction have been studied. The decomposition of...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Datum:2002
Hauptverfasser: Kukueva, V.V., Kirilov, O.A., Grebenyuk, A.G., Lobanov, V.V.
Format: Artikel
Sprache:English
Veröffentlicht: Інститут хімії поверхні ім. О.О. Чуйка НАН України 2002
Schriftenreihe:Поверхность
Schlagworte:
Online Zugang:https://nasplib.isofts.kiev.ua/handle/123456789/126363
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Назва журналу:Digital Library of Periodicals of National Academy of Sciences of Ukraine
Zitieren:Theoretical analysis of thermal destruction of dimethyl phosphates immobilized on dispersed silica surface / V.V. Kukueva, O.A. Kirilov, A.G. Grebenyuk, V.V. Lobanov // Поверхность. — 2002. — Вип. 7-8. — С. 158-162. — Бібліогр.: 10 назв. — англ.

Institution

Digital Library of Periodicals of National Academy of Sciences of Ukraine
Beschreibung
Zusammenfassung:The calculations on the electronic and space structure have been carried out for both trimethyl phosphate molecule and that supported at silica surface within the frameworks of the SCF MO LCAO MNDO valence approximation. The routes of these systems destruction have been studied. The decomposition of trimethyl phosphate molecule chemically immobilized onto fumed silica surface has been shown to occur with absorption of small heat quantity (~19.1 kcal/mol). This explains a high effectiveness of the use of silicas modified by organic phosphorus derivatives as active components of fire-extinguishing powders.