The thermal decomposition process of Composition B by ReaxFF/lg force field
Jingwei Meng, Shuhai Zhang, Ruijun Gou, Yahong Chen, Li Yang, Minghua Chen, Zhao Li
Topics & Concepts
ReaxFFThermal decompositionActivation energyDecompositionChemistryComposition (language)Chemical process of decompositionThermodynamicsMolecular dynamicsKinetic energyReaction mechanismPyrolysisMaterials sciencePhysical chemistryComputational chemistryOrganic chemistryPhysicsInteratomic potentialCatalysisQuantum mechanicsPhilosophyLinguisticsEnergetic Materials and CombustionCombustion and Detonation ProcessesRocket and propulsion systems research