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Thermal decomposition mechanism of nitroglycerin by nano-aluminum hydride (AlH3): ReaxFF-lg molecular dynamics simulation

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Published in 2021 at "Chemical Physics Letters"

DOI: 10.1016/j.cplett.2021.138443

Abstract: Abstract Nano-AlH3 alters the decomposition pathway of NG. In NG/AlH3, the dissociation of oxygen from NG becomes the main decomposition pathway. NG interacts with AlH3 to form passivation layer dominated by Al O. Oxygen atom… read more here.

Keywords: alh3; nano; decomposition mechanism; mechanism nitroglycerin ... See more keywords