Mechanism investigations on co-pyrolysis of polyethylene and biomass using ReaxFF simulation and DFT computation
Zihao Wei, Yingjie Li, Yuzhuo Wang, Zirui He
Topics & Concepts
ChemistryCharReaxFFCellulosePyrolysisLigninOrganic chemistryDensity functional theoryLevoglucosanReactivity (psychology)Chemical engineeringPhotochemistryComputational chemistryMoleculeAerosolAlternative medicineEngineeringHydrogen bondMedicineBiomass burningPathologyThermochemical Biomass Conversion ProcessesLignin and Wood ChemistryPolymer crystallization and properties