Mechanical and Tribological Properties of Nitrile Rubber Reinforced by Nano-SiO2: Molecular Dynamics Simulation

• Published in: Tribology letters Vol. 69; no. 2
• Main Authors: Liu, Xueshen, Zhou, Xincong, Kuang, Fuming, Zuo, Houxiu, Huang, Jian
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.06.2021; Springer Nature B.V
• Subjects: Chemistry and Materials Science; Corrosion and Coatings; Dynamic structural analysis; Friction; Hydrogen bonds; Materials Science; Mechanical properties; Molecular chains; Molecular dynamics; Molecular structure; Nanocomposites; Nanotechnology; Nitrile rubber; Original Paper; Physical Chemistry; Shear modulus; Silicon dioxide; Surfaces and Interfaces; Theoretical and Applied Mechanics; Thin Films; Tribology; Mechanical and tribological properties; Molecular dynamics simulation; Nitrile rubber; Nano-SiO
• ISSN: 1023-8883; 1573-2711
• DOI: 10.1007/s11249-021-01427-9

This paper investigated the mechanism of enhancing the mechanical and tribological properties of nitrile rubber (NBR) via the addition of nano-SiO 2 on the molecular scale. Molecular dynamics (MD) simulations were performed on molecular structure models of pure NBR, NBR/SiO 2 , and three-layer friction pairs. The results showed that the hydrogen bonds and interfacial interaction between nano-SiO 2 and NBR molecular chains decreased the fractional free volume of NBR nanocomposites and increased the shear modulus of NBR by 25% compared with that of pure NBR. During the friction process, nano-SiO 2 decreased the radius of gyration of NBR molecular chains and effectively lowered the peak atomic velocity, the peak temperature, and the peak friction stress at the interface between NBR and copper atoms. The average friction stress on NBR/SiO 2 was 34% lower than that on NBR, which meant the tribological properties of NBR were significantly improved by nano-SiO 2 . The mechanism of nano-SiO 2 -reinforcing NBR on a molecular scale can lay a theoretical foundation for the design of water-lubricated rubber bearings.