Predictive Optimization of Electrical Conductivity of Polycarbonate Composites at Different Concentrations of Carbon Nanotubes: A Valorization of Conductive Nanocomposite Theoretical Models

Materials (Basel). 2021 Mar 30;14(7):1687. doi: 10.3390/ma14071687.

Abstract

Polycarbonate-carbon nanotube (PC-CNT) conductive composites containing CNT concentration covering 0.25-4.5 wt.% were prepared by melt blending extrusion. The alternating current (AC) conductivity of the composites has been investigated. The percolation threshold of the PC-CNT composites was theoretically determined using the classical theory of percolation followed by numerical analysis, quantifying the conductivity of PC-CNT at the critical volume CNT concentration. Different theoretical models like Bueche, McCullough and Mamunya have been applied to predict the AC conductivity of the composites using a hyperparameter optimization method. Through multiple series of the hyperparameter optimization process, it was found that McCullough and Mamunya theoretical models for electrical conductivity fit remarkably with our experimental results; the degree of chain branching and the aspect ratio are estimated to be 0.91 and 167 according to these models. The development of a new model based on a modified Sohi model is in good agreement with our data, with a coefficient of determination R2=0.922 for an optimized design model. The conductivity is correlated to the electromagnetic absorption (EM) index showing a fine fit with Steffen-Boltzmann (SB) model, indicating the ultimate CNTs volume concentration for microwave absorption at the studied frequency range.

Keywords: carbon nanotubes (CNTs); electrical conductivity; hyperparameter; microwave; optimization; percolation; polycarbonate (PC).