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Molecular Reactive Force-Field Simulations on the Carbon Nanocavities from Methane Pyrolysis

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0 Published in 2017 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.7b00294

Abstract: Hydrocarbon pyrolysis is the main way to achieve carbonaceous materials, while most related conversion mechanisms still remain unclear. This work images pyrolysis of methane at various temperatures and densities by molecular reactive force field (ReaxFF)… read more here.

Keywords: pyrolysis; molecular reactive; force field; reactive force ... See more keywords