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A theoretical study on the reactivity of radicals grafted to silica surface

The quantum chemical calculations on the spatial and electronic structure of phosphorus-containing radical sites of aerosil surface have shown a good opening of the use of chemically modified silica materials as cheap fire extinguishing compositions. Their effectiveness is conditioned by low destruc...

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Bibliographic Details
Date:2006
Author Affiliations:
  • V. V. Kukueva — Черкасский институт пожарной безопасности им. Героев Чорнобыля
  • A. A. Kirillov — Черкасский институт пожарной безопасности им. Героев Чорнобыля
  • V. V. Lobanov — Інститут хімії поверхні НАН України
  • A. A. Chuiko — Інститут хімії поверхні НАН України
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Main Authors: Kukueva, V. V., Kirillov, A. A., Lobanov, V. V., Chuiko, A. A.
Format: Article
Language:Russian
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2006
Online Access:https://surfacezbir.com.ua/index.php/surface/article/view/185
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Journal Title:Surface
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Surface
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Summary:The quantum chemical calculations on the spatial and electronic structure of phosphorus-containing radical sites of aerosil surface have shown a good opening of the use of chemically modified silica materials as cheap fire extinguishing compositions. Their effectiveness is conditioned by low destruction energy of surface compounds as compared with the dissociation energies of the molecules of relative modifiers. A consequence of the elementary steps has been substantiated theoretically for the inhibiting flame active centers due to effect of silica surface sites.

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