Computational Modeling of Carbon Nanofiller Networks in Polymer Composites

Conductive nanofillers are typically added into polymers to improve their electrical properties. Carbon-based nanofillers such as carbon nanotubes (CNTs), graphene nanoplatelets or carbon black are commonly used as conductive nanofillers. In this chapter, carbon nanofiller networks are studied to improve the conductivity of polymers using a computational approach. First, only CNT networks are studied to present a definition of loading efficiency. To provide guidelines to improve the electrical conductivity of CNT/polymer composites, first a definition of loading efficiency is presented. Then, its relationship with electrical conductivity and the parameters that affect these two quantities are studied. Later, hybrid-particle networks are studied. The definition of loading efficiency is also used for hybrid-particle networks and its relation with electrical conductivity is studied. Finally, the geometry of the hybrid particle is optimized and conclusions are presented.