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Using Molecular Simulation to Explore Unusually Low Moisture Uptake in Amine‐Cured Epoxy Carbon Fiber Reinforced Nanocomposites
Author(s) -
Hamerton Ian,
Tang Winnie,
Anguita Jose Virgilio,
Pradip Silva Sembukuttiarachilage Ravi,
Stute Thomas
Publication year - 2016
Publication title -
macromolecular chemistry and physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.57
H-Index - 112
eISSN - 1521-3935
pISSN - 1022-1352
DOI - 10.1002/macp.201500485
Subject(s) - silsesquioxane , bisphenol a , nanocomposite , epoxy , char , materials science , polymer chemistry , thermal stability , polyacrylonitrile , glass transition , diamine , chemical engineering , thermosetting polymer , absorption of water , polymer , composite material , chemistry , organic chemistry , combustion , engineering
Reinforced nanocomposites based on a diamine‐cured diglycidylether of bisphenol A are reported containing a monoamino‐substituted polyhedral oligomeric silsesquioxane (POSS) reagent and polyacrylonitrile fibers. Covalent incorporation of monoamino‐POSS at 2 wt% leads to especially attractive properties, including an increase (20 K) in glass transition temperature ( T g ) and thermal stability (increase in char yield of up to 5%). The addition of POSS (2 wt%) in the diglycidylether of bisphenol A (DGEBA) leads to a reduction in moisture uptake of less than 0.30–0.91 wt%, depending on relative humidity (after 6000 h), with little effect on T g (reduction of 9–11 K compared with 11–22 K in the unmodified DGEBA). Molecular dynamics simulation is used to visualize the cured network structure of these nanocomposites, relating free volume to water uptake. Translation of the properties from neat resin to CFRP is very encouraging with a reduction in the equilibrium moisture absorption of up to 29% in the latter.