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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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Materias: | |
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 |