Molecular dynamics simulations of interfacial adhesion between carbon fibers and various epoxies/hardeners and its calorimetric validation

Separate molecular dynamics simulations are carried out to study interfacial interactions between various monomers of epoxies and their hardeners with T300 and CCF300 carbon fibers. Atomistic models of T300 and CCF300 carbon fibers, both in sized and unsized states, are prepared on the basis of their X-ray Photoelectron Spectroscopy data. Calorimeteric measurement of heat of adsorption is used to validate the simulated values of interfacial interactions. Results demonstrate a ranking of epoxies and hardeners on the basis of their interfacial adhesion with T300 and CCF300 carbon fibers.