Study on Reaction Sites of Active Structures in Coal Based on the ReaxFF Reactive Force Field
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DOI: 10.1021/acsomega.2c05796
Abstract: To study the reaction paths and reaction mechanisms of the active structures in coal during the oxidation process, the oxygen-free pyrolysis and oxygen-containing combustion were simulated for nine active structures in coal based on the… read more here.
Keywords: structures coal; reaction; active structures; based reaxff ... See more keywords