Assessing pyrolysis behavior of silicon-containing arylacetylene resin via experiments and ReaxFF MD simulations
Fangjuan Zheng, Kun Wan, Farong Huang, Bo Niu, Youan Shi, Dong Wei, Yayun Zhang, Donghui Long
Topics & Concepts
ReaxFFPyrolysisActivation energyMolecular dynamicsThermal stabilitySiliconChemical engineeringMaterials scienceSilicon carbideThermosetting polymerChemistryHydrogen bondOrganic chemistryPolymer chemistryComputational chemistryMoleculeEngineeringFiber-reinforced polymer compositesAdvanced ceramic materials synthesisSilicone and Siloxane Chemistry