Studying the Effect of Agglomerates on the Mechanical Enhancement of Polymer Nanocomposites Using a Semiempirical Model

In the present work, the elastic modulus of several types of polymer nanocomposites has been analyzed with a semiempirical model which takes into consideration agglomerate formation and their impact on the nanocomposites' mechanical performance. The nanocomposites under investigation were either hybrids with a combination of graphene oxide (GO) with multi-walled carbon nanotubes (MWCNTs) or carbon nanofibers (CNFs) at various loadings, or monofillers with varying nanoparticle sizes, at a constant nanofiller loading. In addition, the effect of the type of polymeric matrix on the same nanofiller combinations has been examined. The basic assumption of two phases, namely a matrix with finely dispersed nanoparticles coexisting with agglomerates, was analyzed. The elastic stiffness of the first phase was calculated by the Mori-Tanaka model, and hereafter a semiempirical model was utilized for the estimation of the agglomerates' stiffness. Within the context of this model, it was shown that the agglomerates' volume fraction, combined with the nanoparticles' density, namely the nanoparticles' volume fraction in the agglomerates and consequently the inclusions'/agglomerates' enhanced modulus, may cause a substantial improvement in the Young's modulus, which cannot be explained by conventional mechanical models. These results apply to both nanocomposite types, hybrids at various nanofiller loadings and monofillers with varying particle sizes.