Solid State Thermochemical Decomposition of Neat 1,3,5,5-Tetranitrohexahydropyrimidine (DNNC) and Its DNNC-d6 Perdeuterio-Labeled Analogue
Abstract
The solid state exothermic thermochemical decomposition kinetics of neat 1,3,5,5-tetranitrohexahydro-pyrimidine (DNNC) and its perdeuterlo DNNC-d6 deuterium labeled analogue were obtained by isothermal differential scanning calorimetry (IDSC) at 142, 145, and 148 deg C. Rate constants subjected to kinetic deuterium isotope effect (KDIE) criteria suggest that C-H bond rupture in either one or both types of the chemically inequivalent alternating -CH2- methylene groups of the DNNC ring structure constitutes the exothermic rate-controlling step. An energy of activation equal to 115 kJ/mole was determined for the exothermic DNNC-d6 decomposition, and from which 106 kJ/mol was calculated for unlabeled DNNC. The exothermic DNNC decomposition follows an extended endothermic induction period with a higher 128 kJ/mole activation energy during which a catalytic species may form by a different rate-limiting step prior to initiating the exothermic decomposition and resultant energy release.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 26, 2004
- Accession Number
- ADA419990
Entities
People
- Scott A. Hendrickson
- Scott A. Shackelford
Organizations
- Air Force Research Laboratory