Supercritical water co-gasification mechanism of lignin and low density polyethylene into syngas: ReaxFF molecular dynamic simulation and density functional theory calculation study
Mengna Bai, Erguang Huo, Yanyan Sun, Shukun Wang, Yunfeng Zhao, Qingfa Zhang, Chenxi Wang, Rongge Zou, Moriko Qian, Hanwu Lei
Topics & Concepts
Low-density polyethyleneLigninSupercritical fluidReaxFFChemical engineeringOrganic chemistryPyrolysisMaterials scienceChemistrySyngasRaw materialPolyethyleneHydrogenHydrogen bondMoleculeEngineeringSubcritical and Supercritical Water ProcessesThermochemical Biomass Conversion ProcessesLignin and Wood Chemistry