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