Differentiation of C-Nitrocompounds as the Basis for Thermolysis Mechanisms Formalization

• Autorzy: Bakhmatova E. A. , Korolev V. L. , Pivina T. S.
• Języki publikacji: EN

Abstrakty

EN

Classification of thermolysis mechanisms for C-nitrocompounds has been performed based on empirical data for different classes of chemical compounds. Focus was placed on the functional environment surrounding the nitrogroup of interest. Finding specific structural characteristics allowed us to formalize the possible mechanisms of its degradation. The results of subsequent computer generation for decomposition mechanisms of several aliphatic C-nitrocompounds demonstrated a good prediction capability of our methodology for modeling processes of thermolysis in organic compounds.

Słowa kluczowe

EN

computer simulation; structure-thermal stability relationships; reactions of decay

• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2007
• Tom: Vol. 4, nr 4
• Strony: 67--76
• Opis fizyczny: Bibliogr. 21 poz.

Twórcy

autor

Bakhmatova E. A.

autor

Korolev V. L.

autor

Pivina T. S.

• elinsky Institute of Organic Chemistry, Russian Academy of Sciences, Leninsky Prospect 47, Moscow 119991, RUSSIA,

Bibliografia

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