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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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Detalles Bibliográficos
Autores principales:	Yin, Fei, Tang, Chao, Wang, Qian, Liu, Xiong, Tang, Yujing
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6403965/ https://www.ncbi.nlm.nih.gov/pubmed/30960616 http://dx.doi.org/10.3390/polym10070691

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