Modeling initial stage of phenolic pyrolysis: Graphitic precursor formation and interfacial effects
作者： Tapan G. Desai , John W. Lawson , Pawel Keblinski
DOI: 10.1016/J.POLYMER.2010.11.018
关键词:
摘要: Reactive molecular dynamics simulations are used to study the initial stage of pyrolysis phenolic polymers with carbon nanotube and fiber. The products formed characterized water is found be primary product in all cases. formation mechanisms analyzed value activation energy for estimated. A detailed graphitic precursor reveals presence two temperature zones. In lower zone ( 2000 K) polymer scission results short chains/molecules. Simulations performed high resin (with nanotubes fibers) show that interfaces does not have a substantial effect on chain rate or formation.
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