Microscopic pyrolysis mechanism on the octyphenylsiloxane flame retarded polycarbonate by reactive molecular dynamics
Yongqing Wan, Shuo Yu, Shuaijun Jiang, Qing Pei, Siyu Xu, Weiguo Cao, Xiaoqing Liu, Yanhua Lan
Topics & Concepts
ReaxFFPolycarbonatePyrolysisThermal decompositionMaterials scienceComposite materialThermal stabilityMoleculeFire retardantDecompositionMolecular dynamicsChemical engineeringChemistryOrganic chemistryComputational chemistryHydrogen bondEngineeringFlame retardant materials and propertiesPolymer crystallization and propertiesFire dynamics and safety research