用于模拟润滑脂的粗粒度分子动力学模型

IF 2.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Tribology Letters Pub Date : 2024-06-21 DOI:10.1007/s11249-024-01878-w
Anthony Benois, Sebastián Echeverri Restrepo, Nicola De Laurentis, Femke Hogenberk, Andrea Giuntoli, Piet M. Lugt
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引用次数: 0

摘要

润滑脂的流变特性由基础油的粘度、基础油与增稠剂之间的相互作用以及增稠剂颗粒之间的相互作用决定。油与增稠剂之间的相互作用对粘度的影响是众所周知的,但增稠剂与增稠剂之间的相互作用对粘度的影响尚未通过理论或计算框架加以研究。在本文中,我们使用粗粒度分子动力学模拟纤维状微结构,结果表明实验观察到的粘弹性/塑性行为可以很好地再现。参数研究表明,表观粘度随着纤维长度、纤维刚度和增稠剂浓度的增加而增加。这符合预期,表明这种建模方法有助于研究实验无法获得的对油脂流变学的影响,如纤维缠结或聚结的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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A Coarse Grained Molecular Dynamics Model for the Simulation of Lubricating Greases

The rheological properties of lubricating greases are determined by the viscosity of the base oil, the interaction between base oil and thickener, and the interaction between thickener particles. The contribution of the oil–thickener interactions to the viscosity is well known, but the contribution of the thickener–thickener interactions has not yet been studied by employing theoretical or computational frameworks. In this paper, we use coarse-grained molecular dynamics to simulate a fibrous microstructure, and we show that the experimentally observed viscoelastic/plastic behaviour can be well reproduced. A parametric study shows that the apparent viscosity increases with increasing fibre length, fibre stiffness and thickener concentration. This is as expected, showing that this modelling approach is useful to study effects on grease rheology that are not accessible experimentally, such as impact of fibre entanglement or agglomeration.

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来源期刊
Tribology Letters
Tribology Letters 工程技术-工程:化工
CiteScore
5.30
自引率
9.40%
发文量
116
审稿时长
2.5 months
期刊介绍: Tribology Letters is devoted to the development of the science of tribology and its applications, particularly focusing on publishing high-quality papers at the forefront of tribological science and that address the fundamentals of friction, lubrication, wear, or adhesion. The journal facilitates communication and exchange of seminal ideas among thousands of practitioners who are engaged worldwide in the pursuit of tribology-based science and technology.
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