This research was performed using Becke’s three-parameter hybrid functional approach with non-local correlation provided by Lee, Yang, and Parr the cc-pVTZ basis set. The geometry, total energy, heat of formation most stable conformers nitramines under study were obtained to obtain density, resistance shock stimuli, detonation pressure, velocity materials study. results allow us predict new mul...

BACKGROUND Older yet still abundant munitions such as tetryl present easily forgotten health hazards and associated needs for worker protection. CASE PRESENTATION Symptoms and findings from 22 workers who were exposed to tetryl are summarized. CONCLUSIONS This study highlights the health hazards from exposure to tetryl. Occupational health professionals need to maintain vigilance to protect...

A unified decomposition scheme for two very important cyclic nitramines used as primary explosives RDX and HMX has been constructed using ab initio Density Functional Theory (DFT) calculations. Molecular parameters such as vibrational frequencies and moments of inertia corresponding to the computed potential energy profile of unimolecular decomposition of these nitramines were then used to obta...

The thermal decomposition of a number of nitramines was studied in dilute solution and in the melt. The nitramines included acyclic mononitramines [dimethylnitramine (DMN), diethylnitramine (DEN), dipropylnitramine (DPN), and diisopropylnitramine (DIPN)], cyclic mononitramines [N-nitro-piperidine (NPIP) and N-nitropyrrolidine (NPyr)], cyclic dinitramines [N-dinitropiperazine (pDNP), 1,3-dinitro...

Introduction Nitrogen, like many other chemical elements, has catenation ability. The variety and multiplicity of molecular structures with nitrogen-nitrogen bond is significantly smaller than for carbon. Such compounds are of particular interest as potential high-energy density materials (HEDM) [1], because they can undergo exothermic reaction Nx → (x/2)N2 releasing 50 kcal/mol or more per one...

Abstract The newly prepared and stored highly active aluminum powder were mixed with common nitramine explosives HMX CL-20 at a mass ratio of 1:1, respectively. effects the two kinds high on thermal decomposition properties investigated by differential scanning calorimetry (DSC). explosion critical temperature mixture explosive was calculated. result shows that after joining aluminium powder, a...