The thermal conductivity and mechanical properties of poly(p-phenylene sulfide)/oxided-graphene and poly(p-phenylene sulfide)/defect-graphene nano-composites by molecular dynamics simulation

Molecular dynamics simulations are used to study the thermal and mechanical properties of the PPS matrix with defect graphene and graphene oxide. For the PPS matrix with defect graphene at different weight fractions, the defect graphene dispersed in the system when the weight fraction of defect graphene was less than 10 wt%. When the weight fraction of defect graphene was more than 20 wt%, the defect graphene will aggregate. In the case of the graphene oxide in the PPS matrix, all the results reveal that the graphene is dispersed in the PPS matrix. The thermal conductivities of PPS/DG and PPS/GO increase when the weight fractions of DG and GO increase. However, the thermal conductivities significantly increase when the weight fractions of PPS/DG and PPS/GO are more than 20 wt%.