Thermal decomposition of energetic materials. 2. Deuterium isotope effects and isotopic scrambling in condensed-phase decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine. Technical report
The products formed in the thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) have been traced to using mixtures of different isotopically labeled analogues of HMX. The isotopic analogues of HMX used in the experiments include 2H, 13C, 15NO2, 15N sub ring, and 18O. The fraction of isotopic scrambling and the extent of the deuterium kinetic isotope effect (DKIE) are reported for the different thermal decomposition products. Isotopic scrambling is not observed for the N-N bond in N2O and the C-H bonds in CH2O. Only one of the C-N bonds in N-methylformamide (NMFA) undergoes isotopic scrambling. The lack of complete isotopic scrambling of the N-NO bond in 1-nitroso-3,5,7-trinitro-1,3,5,7-tetrazocine (ONTNTA) is shown to imply that some HMX decomposition occurs in the lattice. The behavior of the DKIE in different mixtures of isotopic analogues of HMX suggests that water probably acts as a catalyst in the decomposition. The results demonstrate that decomposition of HMX in the condensed phase has several reaction branches.... DKIE, Isotope effect, Isotopic scrambling, HMX, NMFA, ONTNTA, Thermal decomposition.
- Research Organization:
- Army Armament Research and Development Command, Dover, NJ (United States). Armament Engineering Directorate
- OSTI ID:
- 6442831
- Report Number(s):
- AD-A-262135/7/XAB; ARAED-SP-920002
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
AZO COMPOUNDS
THERMAL DEGRADATION
DEUTERIUM
ISOTOPE EFFECTS
EXPLOSIVES
CHEMICAL BONDS
CHEMICAL REACTION KINETICS
FORMAMIDE
LABELLING
PYROLYSIS
THERMODYNAMIC PROPERTIES
AMIDES
CHEMICAL REACTIONS
DECOMPOSITION
HYDROGEN ISOTOPES
ISOTOPES
KINETICS
LIGHT NUCLEI
NUCLEI
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
REACTION KINETICS
STABLE ISOTOPES
THERMOCHEMICAL PROCESSES
400202* - Isotope Effects
Isotope Exchange
& Isotope Separation
400800 - Combustion
Pyrolysis
& High-Temperature Chemistry