Abstract
In this study, the effect of the type and content of functional groups on the interfacial shear properties of a functionalized graphene sheet (FGS)/thermoplastic polyurethane (TPU) nanocomposite are investigated by molecular dynamics (MD) simulations. The maximum pull-out force and separation energy were used to characterize the interfacial strength of the FGS/TPU nanocomposite in sliding mode. To find out how the type and content of functional groups affect the interfacial shear properties of the TPU/FGS system from an atomic view, the details of interactions between FGS and TPU were characterized. Based on the results, stronger interfacial shear properties of the TPU/FGS system can be achieved by adding the carboxyl group or hydroxyl group on the surface of graphene than that between TPU and FGS modified by the amine group or epoxy group, because of the strong interaction of electrostatic forces and H-bonds. In addition, interfacial shear properties can also be enhanced by increasing the content of functional groups modified on the surface of graphene.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
