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高温溶胀下二硫化钼/丁腈橡胶力学和摩擦性能分子动力学模拟
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2021年辽宁省“揭榜挂帅”科技攻关项目(2021JH1/10400084)


Molecular Dynamics Simulation of Mechanical and Tribological Properties of Molybdenum Disulfide/Nitrile Butadiene Rubber under High-temperature Swelling
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    摘要:

    为研究高温环己烷(C6H12)溶胀下,二硫化钼(MoS2)对丁腈橡胶(NBR)复合材料力学及摩擦学性能的影响,使用蒙特卡洛法和Forcite模块分别建立纯NBR、溶胀NBR、NBR/MoS2和溶胀NBR/MoS2复合材料模型,研究MoS2对NBR高温溶胀、力学和摩擦学性能的影响,并探讨MoS2改善高温溶胀NBR的机制。结果表明:C6H12溶胀使NBR的力学性能下降,但在添加MoS2后,复合材料的力学性能得到提高;C6H12溶胀使NBR内部分子链迁移、运动速率加快,但在添加MoS2后,有效地抑制了C6H12溶胀;C6H12溶胀会使NBR复合材料表面分子链增加,导致NBR摩擦学性能下降,但添加MoS2后,复合材料的摩擦学性能也有所提升。由于MoS2较大的比表面积以及较强的范德华力和静电力吸附作用,添加MoS2能改善高温C6H12溶胀下NBR复合材料的力学与摩擦学性能。

    Abstract:

    To investigate the effect of molybdenum disulfide (MoS2) on the mechanical and tribological properties of nitrile butadiene rubber (NBR) composites under high-temperature cyclohexane (C6H12) swelling,Monte Carlo method and Forcite module were used to establish models for Pure NBR,swollen NBR,NBR/MoS2,and swollen NBR/MoS2,respectively.The effect of MoS2 on the high-temperature swelling,mechanical and tribological properties of NBR was studied,and the mechanism of MoS2 improving the high-temperature swelling of NBR was explored.The results show that the C6H12 swelling leads to the decrease of mechanical properties of NBR,but after adding MoS2,the mechanical properties of the composite material are improved.The molecular chain migration and movement rate inside NBR are accelerated by C6H12 swelling,but the addition of MoS2 effectively inhibits the C6H12 swelling.The C6H12 swelling can increase the surface molecular chains of NBR composite materials,leading to the decrease of tribological properties of NBR.However,the addition of MoS2 improves the tribological properties of the composite materials.Due to the larger specific surface area of MoS2 and the stronger van der Waals forces and electrostatic force adsorption,the addition of MoS2 can improve the mechanical and tribological properties of the NBR composites under high-temperature C6H12 swelling.

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钱程,赵晶,李云龙,刘中强,王世杰.高温溶胀下二硫化钼/丁腈橡胶力学和摩擦性能分子动力学模拟[J].润滑与密封,2024,49(9):42-51.
QIAN Cheng, ZHAO Jing, LI Yunlong, LIU Zhongqiang, WANG Shijie. Molecular Dynamics Simulation of Mechanical and Tribological Properties of Molybdenum Disulfide/Nitrile Butadiene Rubber under High-temperature Swelling[J]. Lubrication Engineering,2024,49(9):42-51.

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  • 在线发布日期: 2024-09-26
  • 出版日期: 2024-09-15