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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-06-01
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| Series: | Polymers |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2073-4360/10/7/691 |