Mesoscopic Modeling and Experimental Validation of Thermal and Mechanical Properties of Polypropylene Nanocomposites Reinforced By Graphene-Based Fillers.

ABSTRACT: The development of nanocomposites relies on structure-property relations, which necessitate multiscale modeling approaches. This study presents a modeling framework that exploits mesoscopic models to predict the thermal and mechanical properties of nanocomposites starting from their molecular structure. In detail, mesoscopic models of polypropylene (PP)- and graphene-based nanofillers (graphene (Gr), graphene oxide (GO), and reduced graphene oxide (rGO)) are considered. The newly developed mesoscopic model for the PP/Gr nanocomposite provides mechanistic information on the thermal and mechanical properties at the filler-matrix interface, which can then be exploited to enhance the prediction accuracy of traditional continuum simulations by calibrating the thermal and mechanical properties o

SUBMITTER: Muhammad A 

PROVIDER: S-EPMC10753874 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature