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Decomposition mechanisms of insensitive 2D energetic polymer TAGP using ReaxFF molecular dynamics simulation combined with Pyro-GC/MS experiments

Haorui Zhang, Xuexue Zhang, Xiaolong Fu, Junpeng Liu, Xiaofei Qi, Qi‐Long Yan

2022Journal of Analytical and Applied Pyrolysis23 citationsDOI

Topics & Concepts

ReaxFFDecompositionChemistryBond cleavageIsothermal processMolecular dynamicsThermal decompositionChemical decompositionPolymerPyrolysisThermal stabilityBreakageEnergetic materialActivation energyThermodynamicsPhysical chemistryComputational chemistryMaterials scienceOrganic chemistryInteratomic potentialPhysicsCatalysisComposite materialExplosive materialEnergetic Materials and CombustionRocket and propulsion systems researchThermal and Kinetic Analysis
Decomposition mechanisms of insensitive 2D energetic polymer TAGP using ReaxFF molecular dynamics simulation combined with Pyro-GC/MS experiments | Litcius