Study on the mechanism of nitrile butadiene rubber/hindered aminedamping composites: molecular dynamics simulation

The study reports the fundamental mechanism of the significantly enhanced damping property of nitrile butadiene rubber(NBR) following the introduction of hindered amine(GW-622) small molecules. The formation of hydrogen bonds can be observed between NBR polymer chains and GW-622 by means of molecular dynamic(MD) simulation. When NBR is mixed with different GW-622 mass ratios, there is an optimum mass ratio of NBR/GW-622(100/64),in which the NBR/GW-622 composites have the largest H-bonds, highest cohesive energy density(CED) and smallest fractional free volume(FFV), indicating the strongest intermolecular forces and best damping property.