Novel High-Nitrogen Content Energetic Compounds with High Detonation and Combustion Performance for use in Plastic Bonded Explosives (PBXs) and Composite Solid Propellants

Five novel high-nitrogen content (N>50%) derivatives of tetrazole are introduced in the study reported here. The assessment of various properties of these compounds were performed, which include physicothermal properties (crystal density, condensed phase heat of formation, melting point, enthalpy of fusion and entropy of fusion), detonation performance (velocity and pressure of detonation, detonation temperature and power), sensitivity with respect to external stimuli (impact, shock, friction and electric spark) and combustion performance (specific impulse). The predicted results of these compounds are compared with dihydroxylammonium 5,5’-bistetrazole-1,1’-diolate (TKX-50) and octanitro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) as a high performance ionic salt and a neutral explosive, respectively. The novel energetic compounds were found to have higher detonation and combustion performance than either TKX-50 or HMX. The new explosives are therefore good candidates to obtain high detonation and combustion performance in plastic bonded explosives (PBXs) and composite solid propellants, respectively.