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1 Central European Journal of Energetic Materials

1 2007

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

Bakhmatova E. A., Korolev V. L., Pivina T. S.

Central European Journal of Energetic Materials

2007

Vol. 4, nr 4

67-76

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.