Atomic-scale insight into the pyrolysis of polycarbonate by ReaxFF-based reactive molecular dynamics simulation

Published 2020 View Full Article

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Title
Atomic-scale insight into the pyrolysis of polycarbonate by ReaxFF-based reactive molecular dynamics simulation
Authors
Keywords
Polycarbonate, Pyrolysis, ReaxFF MD, Reaction pathway, Product distribution
Journal
FUEL
Volume -, Issue -, Pages 119484
Publisher
Elsevier BV
Online
2020-10-24
DOI
10.1016/j.fuel.2020.119484

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