The enhancement of polymer properties through the addition of carbon nanofillers is an effective method to improving polymer performance. The addition of carbon nanotubes (CNTs), graphene, and carbon nanofibres (CNFs) to polymers have been shown to reinforce the material properties of some polymers, resulting in potential applications for ballistic resistance. Further, research has shown that CNT can form complexes with graphene, improving the material properties of the final complex and enhancing interactions with a polymer matrix. However, these carbon nanofillers agglomerate within polymer matrices, limiting the effectiveness of the nanofiller, and are further limited by weak interactions with most polymers. This research uses molecular dynamics (MD) to examine the effects of ideally dispersed carbon nanofillers within nylon 6 polymer, a lightweight, common material, on the material properties of the resulting nanocomposite to isolate the potential of carbon nanofillers as enhancers of polymer matrices independent of agglomeration limitations. Weight percentages of carbon nanofillers from 0-5% are studied and the potential of the nanofillers is examined when under ideally dispersed conditions. Results indicate that interactions are an equally significant factor in optimal reinforcement of a polymer matrix as improvements plateau at higher weight percentages of nanofiller.

Study of ideally dispersed carbon based nanofiller effects on nylon 6 polymer material properties using molecular dynamics

ACS Spring Meeting 2021

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