| Study on the Effect of Crosslinking Density on the Properties of Hydrogenated Nitrile Rubber Based on Molecular Dynamics Simulation |
| Received:March 10, 2023 Revised:March 10, 2023 |
| DOI：10.12136/j.issn.1000-890X.2024.12.0895 |
| Key Words: molecular dynamics simulation；HNBR；cross link density；glass transition temperature；mean square displacement；physical property |
| Author Name | Affiliation | E-mail | | liuboxu | Qingdao University of Science and Technology | 1306226081@qq.com | | wangzepeng* | Qingdao University of Science and Technology | 02546@qust.edu.cn | | malian湘 | Qingdao University of Science and Technology | |
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| Abstract: |
| Molecular dynamics was used to construct models of hydrogenated nitrile rubber（HNBR） with crosslinking densities of 0，10%，20%，30%，and 40%，and the effect of crosslinking density on the performance of HNBR was studied.The results showed that as the crosslinking density increased，the glass transition temperature（Tg） of the HNBR molecular model increased，and the heat resistance improved.When the crosslinking density was 0～10%，Tg increased the fastest，and when the crosslinking density was greater than 10%，the rate of Tg increase tended to be gentle.The mean square displacement of the HNBR molecular model decreased，and the flexibility of the molecular chains deteriorated.After the crosslinking density reached 30%，the change in mean square displacement was relatively small.When the crosslinking density was 0～30%，the physical properties of the HNBR molecular model improved.When the crosslinking density was 30%，the physical properties of the HNBR molecular model were the best.When the crosslinking density was higher than 30%，stress was concentrated in the lattice，and the physical properties of the HNBR molecular model decreased with the increase of crosslinking density. |
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