Molecular insights into the synergistic effect of co-pyrolysis of low-rank coal and cellulose: Atomic tracking and labeling, interaction mechanisms, and kinetics
Jie Wang, Wei Wang, Xuheng Chen, Kui Zheng, Runsheng Xu
Topics & Concepts
CharCoalChemistryDehydrogenationCellulosePyrolysisReaxFFChemical engineeringIntermolecular forceDepolymerizationPolymerizationKineticsActivation energyYield (engineering)Reaction mechanismProcess (computing)Molecular dynamicsLimitingRadicalChlorineMacromoleculeChemical kineticsInteraction energyComputational chemistryGraphiteThermochemical Biomass Conversion ProcessesLignin and Wood ChemistryFiber-reinforced polymer composites