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Fluorine-Doped Amorphous Carbon-Coated Magnesium Silicate Hydroxide as Lubricant Additive and Atomic Simulation
Tribology Letters ( IF 3.2 ) Pub Date : 2021-01-12 , DOI: 10.1007/s11249-020-01386-7
Hao Zhang , Qiuying Chang

Abstract

Nanolubricant additives have attracted wide attention because of their promising prospects in energy saving, emission reduction, and improvement of equipment reliability. In this study, the core–shell nanocomposites of a-C:F coating nano-magnesium silicate hydroxide (MSH@C:F) were prepared in subcritical water. Polytetrafluoroethylene (PTFE) was used as a carbon fluorine source to prepare shell of fluorine-doped amorphous carbon (a-C:F). SEM, TEM, XRD, and XPS were applied to characterize the nature of the composite powder MSH@C:F. The results of tribological tests show that MSH@C:F with appropriate F/C ratio has excellent tribological properties as lubricant additive, and the a-C:F shell plays a key role. Ab-initio molecular dynamics (AIMD) computation results show that OH in sodium hydroxide (NaOH) plays a major role in the defluorination of PTFE and the formation of carbonyl group (C=O). Meanwhile, classical molecular dynamics (CMD) simulation shows that MSH indirectly promotes defluorination of PTFE by producing Mg2+ and OH from the erosion of the surface of MSH in water.

Graphic Abstract



中文翻译:

氟掺杂非晶碳包覆硅酸镁氢氧化物作为润滑油添加剂和原子模拟

摘要

纳米润滑剂添加剂在节能,减排和改善设备可靠性方面具有广阔的前景,因此受到了广泛的关注。在这项研究中,在亚临界水中制备了aC:F涂层纳米硅酸镁氢氧化物(MSH @ C:F)的核-壳纳米复合材料。聚四氟乙烯(PTFE)被用作碳氟源,以制备掺氟非晶碳(aC:F)的壳。用SEM,TEM,XRD和XPS表征了复合粉末MSH @ C:F的性质。摩擦学测试结果表明,具有适当F / C比的MSH @ C:F具有优异的摩擦学性能(作为润滑剂添加剂),而aC:F壳起着关键作用。从头计算分子动力学(AIMD)的计算结果表明,OH -氢氧化钠(NaOH)中的三聚氰胺在PTFE的脱氟和羰基(C = O)的形成中起主要作用。同时,经典分子动力学(CMD)模拟显示,MSH通过产生的Mg间接促进PTFE的脱氟2+和OH -从MSH在水中的表面的侵蚀。

图形摘要

更新日期:2021-01-13
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