Molecular-Level Insight of CP52/NBR Damping Composites through a Combination of Molecular Dynamics Simulation and Experimental Method

Abstract

To enhance the damping properties of nitrile butadiene rubber (NBR), the elastomer used was blended with chlorinated paraffin 52 (CP52) to prepare NBR/CP52 composites. The results showed that CP52 could significantly enhance the damping properties of NBR and shift the glass transition temperature (Tg) to lower temperatures. Molecular dynamics models of the CP52/NBR system were established, and the damping properties of the CP52-reinforced NBR were investigated using molecular dynamics (MD) simulations. Through the combination of MD simulations and the experimental results, the essential mechanism of the enhanced damping properties of the NBR was methodically expatiated and was ascribed to the Cl-CP-H····NC-NBR (type I) and CP-Cl····H-NBR-CN (type II) analogous hydrogen bonds formed between NBR and CP52. The higher the CP52 content, the higher the analogous hydrogen bond concentration, and the better the damping properties of the CP52/NBR composites. The experimental results were very consistent with the MD simulation results, meaning that the combination method can provide a new means to optimize the design of damping materials and broaden the application range of small polar molecules in the damping modification of polar rubber materials.

Modification of nitrile‐butadiene rubber surface by immersion into 1,1,2‐trifluoro‐1,2,2‐trichlor‐ethane and its physio‐chemical properties

“…In Reference 128, graphene oxide, modified with p‐phenylenediamine anti‐aging agent, was introduced into the NBR matrix, resulting in a tensile strength of up to ~14.5 MPa and an elongation at break of ~600 MPa. Chlorinated paraffin was added to NBR in Reference 129 to improve its damping properties (tan δ ), an improvement attributed to the efficient influence of hydrogen bonding. Adipic acid‐modified epoxy resin was added to NBR, 130 which significantly improved mechanical and tribological properties due to intensive crosslinking.…”