A simple model for gas barrier performance of polymer nanocomposites considering filler alignment angle and diffusion direction

The available models for predicting the barrier properties of nanocomposite films cannot present the accurate results fitting to experimental data. In this paper, we develop a new model to forecast the barrier performance of polymer nanocomposites by filler orientation angle and changes in diffusion direction after collision of gas molecules to nanoplatelets. The developed model presents the barrier properties by the length, thickness, volume fraction and orientation angle of nanoplatelets as well as the lateral distance between adjacent nanoparticles. To gain a better understanding of the accuracy of new model, the predictions of permeability by previous models are compared to the experimental data of various samples containing nanoclay and graphene. The developed model offers the highest exactness among the models. The orientation of nanofiller in the polymer medium, degree of filler dispersion in addition to the aspect ratio and volume fraction of nanofiller are the most important factors affecting the barrier performance.