Simulation of pyrolysis of crosslinked epoxy resin using ReaxFF molecular dynamics
Guo Li, Peng Hu, Wen Luo, Jianzhu Zhang, Huahua Yu, Faliang Chen, Feizhou Zhang
Topics & Concepts
CarbonizationChemistryReaxFFPyrolysisCharEpoxyCondensation polymerMolecular dynamicsPolymer chemistryThermosetting polymerCarbon fibersActivation energyChemical engineeringHydrogen bondOrganic chemistryPolymerMoleculeComposite materialComputational chemistryMaterials scienceComposite numberEngineeringAdsorptionEnergetic Materials and CombustionPolymer crystallization and propertiesFiber-reinforced polymer composites