分子动力学模拟在润滑基础油黏度研究中的应用进展

Application status quo of molecular dynamic simulation in the viscosity study of lube base oil

黏度是确保润滑油在摩擦副间形成油膜的一个非常重要的性质,润滑油的黏度主要由基础油黏度决定,基础油黏度影响因素及规律的分析对基础油的生产具有重要指导意义。分子动力学模拟技术在基础油黏度研究中发挥了重要的作用。本文在简要介绍黏度计算的两种分子动力学方法基础上,重点论述了利用分子动力学模拟技术分析确定基础油黏度影响因素以及剪切速率、环境温度、环境压力等外部环境对基础油黏度影响规律的主要研究进展。针对基础油黏度研究的现状,提出从基础油分子的电子云特性出发分析分子结构对黏度的影响,将有望从更深层次上揭示黏度的影响机理,从而为高性能润滑基础油的配方优化或分子设计提供指导。

The viscosity of lube oil which mainly consists of base oil is the key property in determining whether the oil can sustain a sufficient fluid film between the moving parts. So the understanding of the influencing factors of lube base oil＇s viscosity is a subject of considerable importance. The technique of molecular dynamic simulation has played an important role in the research of base oil＇s viscosity. On the basis of a brief introduction of molecular dynamic simulation, this paper mainly reviews the analysis of the effects of molecular structure and environmental conditions on viscosity using molecular dynamic simulation. Finally, molecular electronic cloud characteristics are prospected to be used to reveal the real mechanism of viscosity and provide guidance in high performance base oil designing and manufacturing.