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In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation

Xiaolong Xing, Xiaoru Niu, Yun Liu, Changhong Yang, Shujuan Wang, Yu Li, Xinli Jing

2021Polymer Degradation and Stability55 citationsDOI

Topics & Concepts

ReaxFFPyrolysisPhenolChemistryMethyleneCleavage (geology)Methylene bridgeBond cleavagePhenolsMolecular dynamicsMoleculeHydrogen bondPolymer chemistryOrganic chemistryComputational chemistryMaterials scienceCatalysisComposite materialFracture (geology)Polymer crystallization and propertiesThermal and Kinetic AnalysisFlame retardant materials and properties
In-depth understanding on the early stage of phenolic resin thermal pyrolysis through ReaxFF-molecular dynamics simulation | Litcius