ACS Omega · 2020 · 30 citations · 21 references
Natural SciencesChemical EngineeringChemistryCombustionPhysical ChemistryQuantum ChemistryCombustion ProcessesElementary ReactionsMolecular Orbital TheoryOxidation ReactionsReaction Mechanism ModelingReaction PathwaysAldehyde OxidationChemical Reaction MechanismsCoal CombustionCombustion ChemistryCombustion ReactionsElementary Reaction MechanismsMolecular Orbital AnalysisSelf-heating Of Coal
generation during coal spontaneous combustion. The thermodynamic parameters of the elementary reactions were further analyzed and confirmed by quantum chemistry methods. The results are helpful for further understanding the pathways of CO generation in the initial stage of coal spontaneous combustion, which provides theoretical support for prediction of coal spontaneous combustion.
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