Three-dimensional Modeling of Percolation Behavior of Electrical Conductivity in Segregated Network Polymer Nanocomposites Using Monte Carlo Method

International audienceThree-dimensional Modeling of Percolation Behavior of Electrical Conductivity in Segregated Network Polymer Nanocomposites Using Monte Carlo Method. Abstract: Polymer nanocomposites filled with carbon nanotubes are observed to present an onset of the insulator-to-conductor transition through previous experimental studies. In this work, numerical simulations based on Monte Carlo method are performed to investigate the percolation threshold. The conductive fillers are modeled as a three dimensional (3D) network of identical units dispersed in the polymer matrix. However, the distribution of the fibers is not uniform due to the existence of the emulsion particles. The effects of the aspect ratio and fiber length on the critical volume fraction are studied. Linearization is made to the logarithm of simulation results. The calculated critical volume fraction is used in the power-law function to predict the electrical conductivity of the polymer composites. The results from the homogeneous model (without emulsion particles) and the model containing emulsion particles are compared. The effects of the size and the geometrical variation of the emulsion particles are evaluated