Early Events of the Carburization of Fe Nanoparticles in Ethylene Pyrolysis: Reactive Force Field Molecular Dynamics Simulations
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DOI: 10.1021/acs.jpcc.8b01481
Abstract: The carburization of transition metals in hydrocarbon pyrolysis is a common corrosion phenomenon in the petrochemical industry. Nevertheless, early events of carburization mechanism remain still unclear. The present work reveals the details at earlier stages… read more here.
Keywords: force field; pyrolysis; carburization; pyrolysis reactive ... See more keywords