Mechanistic Relationships of the Decomposition Process to Combustion and Explosion Events from Kinetic Deuterium Isotope Effect Investigations

Abstract

The condensed phase kinetic deuterium isotope effect (KDIE) approach directly determines the overall rate-controlling mechanistic step of an energetic material’s complex thermochemical decomposition process. This second paper discusses extending the KDIE approach into progressively more drastic high temperature/pressure/rate regimes encountered with pyrolytic decomposition/deflagration, combustion, thermal explosion, and detonation incidents in order to determine the rate-controlling step of each. This rate-controlling step provides a common basis for comparing the mechanistic similarities or differences among these high energy incidents; and possible relationships between the thermochemical decomposition process and higher order combustion or explosion incidents are described for HMX, RDX, TATB, and TNT. The KDIE determined rate-controlling step between a pure nitramine compound and a formulated energetic material also is compared.