| 基于分子动力学模拟研究碳纳米管对天然橡胶/顺丁橡胶并用胶力学性能和摩擦性能的影响 |
| Study on Effect of CNTs on Mechanical and Friction Properties of NR/BR Blends Based on Molecular Dynamics Simulation |
| 投稿时间：2023-08-16 修订日期：2023-08-16 |
| DOI：10.12136/j.issn.1000-890X.2025.07.0483 |
| 中文关键词: 天然橡胶 顺丁橡胶 碳纳米管 分子动力学模拟 力学性能 摩擦性能 |
| 英文关键词: NR BR CNTs molecular dynamics simulation mechanical property frictional property |
| 基金项目:山东省自然科学基金资助项目（ZR2019MEM050） |
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| 中文摘要: |
| 基于分子动力学，建立纯天然橡胶（NR）/顺丁橡胶（BR）并用胶模型和添加碳纳米管（CNTs）的NR/BR并用胶（以下简称CNTs/NR/BR复合材料）模型以及NR/BR并用胶层-铁层摩擦副模型，模拟研究CNTs对NR/BR并用胶力学性能和摩擦性能的影响。结果表明：与纯NR/BR并用胶相比，CNTs/NR/BR复合材料的体积模量、剪切模量和弹性模量增大，玻璃化转变温度升高，即CNTs/NR/BR复合材料的力学性能提高；均方位移和摩擦因数减小，摩擦界面的峰值温度降低，橡胶分子中碳原子相对于铁原子的径向分布函数平均值减小，即CNTs/NR/BR复合材料的耐磨性能提高。 |
| 英文摘要: |
| Based on molecular dynamics，the models of pure natural rubber（NR）/polybutadiene rubber （BR） blend and NR/BR blend with added carbon nanotubes （CNTs）（hereinafter referred to as CNTs/NR/BR composite） were established，and the friction pair models of NR/BR blend layer-iron layer were aslo established，the simulations study on effect of CNTs on the mechanical and frictional properties of NR/BR blends was carried out.The results showed that，compared with pure NR/BR blend，the bulk modulus，shear modulus and elastic modulus of CNTs/NR/BR composites increased，and glass transition temperature was rose，which meaned improvement of the mechanical properties of CNTs/NR/BR composite.The mean square displacement and friction coefficient of CNTs/NR/BR composite was reduced，the peak temperature at the friction interface decreased，and the average radial distribution function of carbon atoms in the rubber molecules relative to iron atoms was diminished，which meaned improvement of the wear resistance of CNTs/NR/BR composite increased. |
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