Effects on the Thermo-Mechanical and Interfacial Performance of Newly Developed PI-Sized Carbon Fiber–Polyether Ether Ketone Composites: Experiments and Molecular Dynamics Simulations

In this study, polyether ether ketone (PEEK) composites reinforced with newly developed water-dispersible polyimide (PI)-sized carbon fibers (CFs) were developed to enhance the effects of the interfacial interaction between PI-sized CFs and a PEEK polymer on their thermo-mechanical properties. The PI sizing layers on these CFs may be induced to interact vigorously with the p-phenylene groups of PEEK polymer chains because of increased electron affinity. Therefore, these PI-sized CFs are effective for improving the interfacial adhesion of PEEK composites. PEEK composites were reinforced with C-CFs, de-CFs, and PI-sized CFs. The PI-sized CFs were prepared by spin-coating a water-dispersible PAS suspension onto the de-CFs, followed by heat treatment for imidization. The composites were cured using a compression molding machine at a constant temperature and pressure. Atomic force and scanning electron microscopy observations of the structures and morphologies of the carbon fiber surfaces verified the improvement of their thermo-mechanical properties. Molecular dynamics simulations were used to investigate the effects of PI sizing agents on the stronger interfacial interaction energy between the PI-sized CFs and the PEEK polymer. These results suggest that optimal amounts of PI sizing agents increased the interfacial properties between the CFs and the PEEK polymer.