Revealing the mechanism on steam co-gasification of cellulose and polyethylene: A combined ReaxFF and DFT study
Zihao Wei, Yingjie Li, Chunxiao Zhang, Yang Liguo, Leizhe Chu
Topics & Concepts
CelluloseReaxFFChemical engineeringMaterials scienceMechanism (biology)PolyethyleneChemistryOrganic chemistryMoleculeHydrogen bondEngineeringPhilosophyEpistemologyThermochemical Biomass Conversion ProcessesFlame retardant materials and propertiesLignin and Wood Chemistry