6533b820fe1ef96bd127a93b

RESEARCH PRODUCT

Molecular Dynamic Simulation on Polyamide6/Graphene nano-layers nanocomposites

Marcello CammarataRossella ArrigoElisabetta MoriciNadka Tzankova DintchevaMassimiliano Zingales

subject

Molecular Dynamic Simulation Polyamide6 Graphene nano-layers nanocomposites

description

In this work results obtained from Molecular Dynamic Simulation (MDS) on Polyamide 6 (PA6) chains in graphene containing nanocomposites are presented. Through detailed MDS, the interface of complex nanocomposites systems can be fully characterized, furthermore different physical properties, such as density, end-to-end distance , and average radius of gyration of polymers chains can be predicted. This issue is useful for the design of highly value-added nanocomposites and the optimization of their production process, by defining transformation steps and status variables (temperature, time and pressure), that can also help the industrial production.

10.5301/jabfm.5000272http://hdl.handle.net/10447/180615