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Atomistic simulations of functionalization of aramid fiber‐epoxy nanocomposite
Author(s) -
Pan Lei,
Zhong Lang,
Guo Hua Xin,
Wang Meng Lin,
Xue Peng Bo
Publication year - 2021
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.50171
Subject(s) - aramid , materials science , surface modification , composite material , ultimate tensile strength , nanocomposite , polymer , epoxy , polymer nanocomposite , crystallinity , fiber , chemical engineering , engineering
Owing to its high degree of crystallinity and orientation, the surface of aramid fiber is smooth, causing its low bonding strength with polymer matrix. This has restricted the application of aramid fiber in reinforced polymer materials. Effective methods are by introducing functional groups through surface modification and by increasing its surface roughness thereby greatly improving its bonding strength with the polymer. In this work, molecular dynamics (MD) simulation study fiber functionalized with hydroxyl (OH), carboxyl (COOH), and the silane coupling agent as nanofillers for polymer nanocomposites. The interfacial characteristics and the mechanical behavior of polymer nanocomposites are investigated. The results show that the functionalization can enhance the interfacial shear stress and tensile strength. The functional group not only provides a stronger interface, but also provides additional mechanical interlocking effect, which effectively improves load‐bearing transmission capacity. The analysis of the micro‐mechanism from the energy level also provides new insights for the functionalized design of nanocomposites.