Synergistic mechanism and radicals interaction of the Co-SCWG of cellulose and polystyrene based on ReaxFF-MD and DFT
Da Cui, Xinpei Zhou, Shuang Wu, Hon Man Luk, Qiuyun Lu, Jingru Bai, Bin Liu, Xiangming Xu, Shuo Pan, Q. C. Wang, Xuehua Zhang
Topics & Concepts
PolystyreneCelluloseFraction (chemistry)RadicalChemistryHydrogenSyngasChemical engineeringHydrocarbonOxygenDecompositionMass fractionCarbon fibersLight crude oilOrganic chemistryPolymerMaterials scienceBranching (polymer chemistry)Carbon nanotubeDensity functional theoryCarbonizationSublimation (psychology)Biomass (ecology)Ethyl cellulosePhotochemistryPyrolysisReaxFFPolymer chemistrySubcritical and Supercritical Water ProcessesThermochemical Biomass Conversion ProcessesCoal Combustion and Slurry Processing