Mechanism of hydrogen production through lignin supercritical water gasification catalyzed by carbon-supported nickel-based catalyst: ReaxFF molecular dynamics simulation
Yilin Guo, Chenxi Wang, Jingwei Chen, Lei Yi
Topics & Concepts
ReaxFFCatalysisSupercritical fluidHydrogen productionMolecular dynamicsNickelHydrogenLigninChemical engineeringCarbon fibersMechanism (biology)Materials scienceChemistryOrganic chemistryComputational chemistryEngineeringInteratomic potentialEpistemologyComposite materialPhilosophyComposite numberSubcritical and Supercritical Water ProcessesThermochemical Biomass Conversion ProcessesLignin and Wood Chemistry