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

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 Caromatic ring–N and C=O, which could be...

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Bibliographic Details
Main Authors: Fei Yin, Chao Tang, Qian Wang, Xiong Liu, Yujing Tang
Format: Article
Language:English
Published: MDPI AG 2018-06-01
Series:Polymers
Subjects:
meta-aramid
thermal decomposition
ReaxFF
reactive molecular dynamics
Online Access:http://www.mdpi.com/2073-4360/10/7/691

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