Study on the Relationship between the Hydrogen Bond and Damping Properties of Nitrile-Butadiene Rubber/Hindered Phenol Composites by Molecular Dynamics Simulation

Tao Hu; Qiao Bo; Xiu Ying Zhao; Si Zhu Wu

doi:10.4028/www.scientific.net/AMR.410.313

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Study on the Relationship between the Hydrogen Bond and Damping Properties of Nitrile-Butadiene Rubber/Hindered Phenol Composites by Molecular Dynamics Simulation

Abstract:

This work was try to study the relationship between the damping properties and the hydrogen bonds, fractional free volumes of nitrile-butadiene rubber (NBR)/hindered phenol (AO-80) composites from the microstructural point of view by combining the experimental and molecular simulation studies. The results indicated that the hydrogen bonds (HBs) were formed between AO-80 small molecules and NBR polymer chains. According to simulation results, because of the formed strongest HBs, highest binding energy and the smallest fractional free volume in the NBR/AO-80 composites with the blending ratio of 100/68, it contributed the maximum loss factor and highest modulus. It concluded that there was a suitable proportion of rubber blended with small hindered phenol molecules in the design of damping materials.