Numerical prediction of diffusion barrier performance of flake reinforced nanocomposites

Abstract

A finite element (FE) approach was used to predict the barrier performance of nanocomposites with respect to fluids permeation. This could be, for example, a polymer with nanoreinforcements like graphene, and used as a coating or a liner. The model was verified with analytical and experimental measurements, and the influence on barrier performance of different flake characteristics – aspect ratio, loading, thickness, angular orientation, as well as distance between adjacent flakes – were studied. It was found that good correlation can be obtained using certain analytical models within their limited range of parameters, but the present work extends the applicability to nanoreinforcements like graphene with greater aspect ratios. In addition, the effect of flake angle was also investigated and found to be both beneficial and disadvantageous for barrier performance, depending on the flake aspect ratio.