Sensibility analyses on morphological parameters of Cellulose Acetate - Graphene Oxide nanocomposites using a periodic 3D-FEM model

This article focused on the study of the influence of morphological parameters on the mechanical performance (Young's modulus) of Cellulose Acetate-Graphene Oxide nanocomposites produced by Supercritical CO2 assisted phase inversion, by means of an algorithm managing two parametric variational 3D finite element (FE) models simulating micro- and nano-level of the nanocomposite. Micro-level showed interconnected spherical pores, while nano-level showed a dispersion of not fully exfoliated graphene sheets. 3D FE model exploited the periodic representative volume element (PRVE) concept and accounted for the nanocomposite morphology as determined from Field Emission Scanning Electron Microscopy (FESEM) experiments. Model predictions were compared with experimental results obtained by compression tests at different weight percentages of graphene oxide with respect to the polymer. Once validated, such a FE simulation procedure allows to know in advance which and how to vary the geometrical parameters during the nanocomposite production to improve its final mechanical performance.