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Molecular Dynamics Simulations on the Thermal Decomposition of Meta-Aramid Fibers

The thermal decomposition mechanism of a meta-aramid fiber was simulated at the atomic level using the ReaxFF reactive force field. The simulation results indicated that the main initial decomposition positions of the meta-aramid fiber elements were C(aromatic ring)–N and C=O, which could be used as...

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Bibliografische gegevens
Gepubliceerd in:Polymers (Basel)
Hoofdauteurs: Yin, Fei, Tang, Chao, Wang, Qian, Liu, Xiong, Tang, Yujing
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: MDPI 2018
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6403965/
https://ncbi.nlm.nih.gov/pubmed/30960616
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/polym10070691
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