Condensed Phase Kinetic Deuterium Isotope Effects in High Energy Phenomena: Mechanistic Investigations and Relationships.

摘要

The rate-controlling mechanistic step of an energetic material's condensed phase thermochemical decomposition process is determined directly using the kinetic deuterium isotope effect (KDIE) approach. The KDIE is used with isothermal DSC and isothermal TGA analyses of TNT, HNBB, TATB, RDX, HMX, and their deuterium labeled analogs. The decomposition processes' rate-controlling step possibly can change as the energetic material physical state varies. The condensed phase KDIE approach that determines the rate-controlling mechanistic step in a slow thermochemical decomposition process, can be extended into the progressively more drastic high energy regimes encountered with the rapid pyrolytic decomposition/deflagration process, plus the higher temperature/pressure combustion, thermal explosion, and detonation events. The KDIE determined mechanistic relationships between the slow thermochemical decomposition process and more hostile high energy events are individually described for HMX, RDX, TATB, and TNT. (rrh)