Regulation of stability and density of energetic materials <i>via</i> isomerism
Wenjin Zhang, Yiling Yang, Shaoyi Shi, Siping Pang, Yuchuan Li, Chenghui Sun
Abstract
We have achieved selective regulation of the stability and density of 4-nitro-1,2,3-triazole. The resulting compounds exhibit excellent detonation properties and impact sensitivity that are comparable to those of HMX.
Topics & Concepts
DetonationHydrogen bondCharge densityMoleculeChemistryNitroExplosive materialDetonation velocityDensity functional theoryEnergetic materialComputational chemistryChemical physicsMaterials scienceOrganic chemistryPhysicsAlkylQuantum mechanicsEnergetic Materials and CombustionThermal and Kinetic AnalysisCrystallography and molecular interactions