▎ 摘　　要

This paper analyzes carbon nanomaterial-reinforced PA66/NBR rubber-plastic blended composites to correlate the blending mechanism and reinforcing properties by molecular dynamics (MD) simulations. The molecular models of pure NBR, PA66/NBR, GE/PA66/NBR, and GO/PA66/NBR composites were developed and investigated. The mechanical properties of the four composites were investigated by the constant strain method. A molecular model with NBR composites as the core and iron atomic layers as the upper and lower layers was established to investigate the tribological properties, and the rubber-plastic co-blending mechanism was also analyzed. The results showed that PA66, GE, and GO could gradually improve the mechanical properties of NBR composites. Meanwhile, the cohesive energy density, mean square displacement, free volume, friction coefficient, and wear rate also gradually decreased. The incorporation of PA66 would form a bond between the interface between the rubber and plastic to make each other's properties complementary. Meanwhile, GE had a high specific surface area and strong van der Waals force, which also improved the reinforcing effect. In addition, the GO/PA66/NBR composites had the best blending characteristics and the best mechanical and tribological properties due to the abundant oxygen-containing functional groups on the GO surface that further reduce the kinematic activity.