| 基于分子动力学模拟研究交联密度对氢化丁腈橡胶性能的影响 |
| Study on the Effect of Crosslinking Density on the Properties of Hydrogenated Nitrile Rubber Based on Molecular Dynamics Simulation |
| 投稿时间：2023-03-10 修订日期：2023-03-10 |
| DOI：10.12136/j.issn.1000-890X.2024.12.0895 |
| 中文关键词: 分子动力学模拟 HNBR 交联密度 玻璃化温度 均方位移 物理性能 |
| 英文关键词: molecular dynamics simulation HNBR cross link density glass transition temperature mean square displacement physical property |
| 基金项目:山东省自然科学基金 |
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| 中文摘要: |
| 采用分子动力学构建交联密度为0，10%，20%，30%和40%的氢化丁腈橡胶（HNBR）模型，研究交联密度对HNBR性能的影响。结果显示，随着交联密度的增大，HNBR分子模型的玻璃化温度（Tg）升高，耐热性能提高，交联密度为0～10%时，Tg升高最快，交联密度大于10%时，Tg升高速度趋于平缓；HNBR分子模型的均方位移减小，分子链的柔顺性变差，交联密度达到30%后，均方位移变化较小；交联密度为0～30%时，HNBR分子模型的物理性能提高，交联密度为30%时，HNBR分子模型的物理性能最好，交联密度大于30%时，晶格内应力集中，HNBR分子模型的物理性能随交联密度的增大而降低。 |
| 英文摘要: |
| 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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