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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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Detalhes bibliográficos
Publicado no:Polymers (Basel)
Main Authors: Yin, Fei, Tang, Chao, Wang, Qian, Liu, Xiong, Tang, Yujing
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2018
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Acesso em linha: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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