| 分子模拟纳米ZnO/丁腈橡胶复合材料的摩擦学行为 |
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| 引用本文： | 唐黎明,李云龙,何恩球,郝敏,任师兵.分子模拟纳米ZnO/丁腈橡胶复合材料的摩擦学行为[J].复合材料学报,2020,37(3):690-695. |
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| 作者姓名： | 唐黎明 李云龙 何恩球 郝敏 任师兵 |
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| 作者单位： | 1.沈阳化工大学 能源与动力工程学院, 沈阳 110142; |
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| 基金项目： | 辽宁省自然科学基金指导计划项目（20180550640）；大学生创新创业训练计划项目（201810149011）；汕头大学科研启动基金资助项目（NTF19018） |
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| 摘 要： | 采用分子模拟的方法研究了纳米ZnO/丁腈橡胶（NBR）复合材料的摩擦学行为，考察了纳米ZnO/NBR复合材料的回转半径、原子相对浓度和剪切行为，探讨了纳米ZnO/NBR复合材料摩擦学行为的微观机制。结果表明:与纯NBR材料相比，纳米ZnO/NBR复合材料具有更小的回转半径，橡胶分子链的柔顺性下降；与纳米ZnO/NBR复合材料相比，纯NBR材料摩擦界面具有更高的原子相对浓度，纯NBR材料上下摩擦表面的原子浓度峰值比纳米ZnO/NBR复合材料分别高了6.4%和4.3%。说明纳米ZnO的存在提高了纳米ZnO/NBR复合材料分子链的刚性，减小了能量耗散，从而改善了纳米ZnO/NBR复合材料的摩擦性能。
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| 关 键 词： | 丁腈橡胶(NBR) 纳米ZnO 复合材料 摩擦学 分子模拟 |
| 收稿时间： | 2019-03-28 |
Molecular simulation of tribology behavior of nano ZnO/nitrile-butadiene rubber composites |
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| Affiliation: | 1.School of Energy and Power Engineering, Shenyang University of Chemical Technology, Shenyang 110142, China;2.College of Engineering, Shantou University, Shantou 515063, China;3.School of Mechanical Engineering, Shenyang University of Technology, Shenyang 110870, China;4.College of Science, Shenyang Agricultural University, Shenyang 110866, China |
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| Abstract: | The tribology behavior of nano ZnO/nitrile-butadiene rubber (NBR) composites was studied by molecular simulation. The investigation was conducted using molecular simulation to examine the radius of gyration, relative concentration of atom and shear behavior of nano ZnO/NBR composites. The microscopic mechanism of tribology behavior of nano ZnO/NBR composites was discussed. The results show that compared with the pure NBR, the nano ZnO/NBR composites owns a smaller radius of gyration and the flexibility of rubber molecular chain is decreased. Compared with the nano ZnO/NBR composites, the pure NBR owns a higher relative concentration of atom at the frictional interface. The peak value of relative concentration of atom at the top and bottom friction surface of pure NBR is 6.4% and 4.3% greater than that of nano ZnO/NBR composites, respectively. The rigidity of molecular chain in nano ZnO/NBR composites is enhanced and the energy dissipation is decreased. The improved tribology property is achieved in the nano ZnO/NBR composites. |
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