Effect of acrylonitrile content on compatibility and damping properties of hindered phenol AO-60/nitrile-butadiene rubber composites: Molecular dynamics simulation

The effect of the acrylonitrile content in nitrile-butadiene rubber (NBR) on the compatibility and damping properties of AO-60/NBR was investigated by molecular dynamics (MD) simulation and experimental methods. The hindered phenol AO-60 had poor compatibility with NBR with an acrylonitrile content of 41% (denoted by N220S), but had good compatibility with NBR with an acrylonitrile content of 34% (denoted by N230S). The AO-60/N230S composite had larger H-bonds and higher binding energy than the AO-60/N220S composite at the same AO-60 content, both indicating stronger interactions between N230S and AO-60 and better damping performance of AO-60/N230S. Moreover, SEM, DSC, and DMA were used to evaluate the compatibility and damping of AO-60/NBR composites. Phase separation occurred between N220S and AO-60, but a fine dispersion of AO-60 in N230S was obtained. The present study hopes to provide theoretical guidance to the design of damping rubber materials.