Autocatalytic decomposition of energetic materials: interplay of theory and thermal analysis in the study of 5-amino-3,4-dinitropyrazole thermolysis
Nikita V. Muravyev, Margarita V. Gorn, Igor N. Melnikov, Константин А. Моногаров, Б. Л. Корсунский, Igor L. Dalinger, Алла Н. Пивкина, Vitaly G. Kiselev
Abstract
species. We believe the latter process to contribute remarkably to the observed autocatalytic behavior of 5-ADP. Most importantly, the calculations provide detailed mechanistic evidence complementing the thermoanalytical experiment and formal kinetic models.
Topics & Concepts
AutocatalysisChemistryThermal decompositionDifferential scanning calorimetryComputational chemistryDecompositionPhysical chemistryKineticsThermodynamicsTransition state theoryIsothermal processReaction rate constantOrganic chemistryCatalysisPhysicsQuantum mechanicsEnergetic Materials and CombustionThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure