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通过分子动力学分析基于三甲基的滑剂的 Tribology 特性

Camila B Souza¹, Rene Francisco B Gonçalves¹, José Atílio F F Rocco¹

¹Instituto Tecnológico da Aeronáutica, Praça Marechal Eduardo Gomes, 50, 12228-900 São José dos Campos, SP, Brazil.

Anais da Academia Brasileira de Ciencias

|September 11, 2024

概括

分子动态模拟揭示了在极端条件下滑剂的行为. 更高的温度和速度提高了滑剂的性能,减少了航空发动机的摩擦.

科学领域:

三角学和滑科学三角学和滑科学
材料科学与工程材料科学与工程
计算化学的计算化学

背景情况:

在高温和高压下分析航空滑剂三元学对该行业至关重要.
开发具有成本效益和环保的分析方法是一个关键的挑战.
在运行压力下了解滑剂的行为对于发动机性能和寿命至关重要.

研究的目的:

为了证明使用分子动态模拟来分析滑剂的tribological属性的可行性.
在不同的操作条件下调查滑剂三元学性质的演变.
提供对分子行为的洞察力,以指导滑剂的配方和应用.

主要方法:

开发一个三层分子模型,使用化和聚醇.
在不同滑动速度 (20-100公里/小时),温度和压力下模拟滑剂的行为.
计算和分析度,温度,速度配置,辐射分布函数,平均平方位移和摩擦系数.

主要成果:

在最低的测试温度和压力下观察到的最高摩擦系数 (0.75-2.5).
在其他模拟的燃气轮机段中,摩擦系数 (0-0.01) 显著降低.
增加的压力和温度降低了聚合物链的流动性和滑剂吸附,但在更高的速度上提高了性能.

结论:

分子动力学模拟为获得定量和定性部落学数据提供了一种可行的方法.
滑剂的性能在更高的速度和温度下得到增强,这与最初的摩擦观察相反.
模拟技术为了解分子行为和优化滑剂配方以满足苛刻应用的需求提供了有价值的框架.

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