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Synergistic Lubrication of Organic Friction Modifiers in Boundary Lubrication Regime by Molecular Dynamics Simulations
Applied Surface Science ( IF 6.3 ) Pub Date : 2023-03-21 , DOI: 10.1016/j.apsusc.2023.157087
Junqin Shi , Hang Li , Yang Lu , Lin Sun , Shaofeng Xu , Xiaoli Fan

The synergistic effect of organic friction modifiers (OFMs) combining glycerol monolaurate (GML) and tri-n-octylamine (N888) in base oil is studied by molecular dynamics simulations. The adsorption and shear behaviors indicate that the triple-chains N888 molecules intersperse among the long-chain GLM molecules to form an intercoordination adsorption film. The system with a number ratio of 3:1 of GML to N888 shows a better synergistic lubrication with the lowest friction coefficient. The chemisorption of GML molecules on Fe2O3 surface is verified by density function theory. High shear velocity accompanying friction heat causes adsorption film breakage and high friction, while contact pressure conduces to friction reduction. The synergistic lubrication is attributed to the interface slip between base oil and OFM films, rather than the interlaminar shear caused by an imbalanced combination or high shear velocity.



中文翻译:

通过分子动力学模拟在边界润滑状态下有机摩擦改进剂的协同润滑

通过分子动力学模拟研究了甘油单月桂酸酯 (GML) 和三正辛胺 (N888) 在基础油中的有机摩擦改进剂 (OFM) 的协同效应。吸附和剪切行为表明,三链 N888 分子散布在长链 GLM 分子之间,形成相互配位的吸附膜。GML与N888的数量比为3:1的系统显示出更好的协同润滑和最低的摩擦系数。GML分子在Fe 2 O 3上的化学吸附表面由密度泛函理论验证。伴随摩擦热的高剪切速度导致吸附膜破裂和高摩擦,而接触压力有助于减少摩擦。协同润滑归因于基础油和 OFM 膜之间的界面滑移,而不是由不平衡组合或高剪切速度引起的层间剪切。

更新日期:2023-03-23
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