Molecular Dynamics Simulation of Oligo (Ethylene Glycol) Self-Assembled Monolayers for Hydration Lubrication

被引：0
|
作者：
Xia T. [1 ]
Tan S. [1 ]
Xu N. [1 ]
Shi Y. [1 ]
He Y. [1 ]
机构：
[1] Key Laboratory of Biomass Chemical Engineering of Ministry of Education, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou
来源：
Gao Xiao Hua Xue Gong Cheng Xue Bao/Journal of Chemical Engineering of Chinese Universities | 2017年 / 31卷 / 06期
关键词：
Hydration lubrication; Molecular dynamics simulation; Poly (ethylene glycol); Tribology;
D O I：
10.3969/j.issn.1003-9015.2017.06.024
中图分类号：
学科分类号：
摘要：
Poly (ethylene glycol) (PEG) is a typical non-fouling material and also exhibits low friction characteristics. In this work, molecular dynamics simulation was performed to investigate the innate relationship between structure/dynamics of water and friction within two oligo (ethylene glycol) self-assembled monolayer (OEG-SAM) surfaces. The results show that the OEG-SAM surface has a hydration layer with a thickness of ~6 Å, which can be divided into two sub-layers. The water in each sub-layer has different structure and dynamic characteristics when compared with bulk water. The friction between OEG-SAM surfaces is closely related to the thickness of the hydration layer. When the distance between the surfaces is less than 15 Å, the direct contact of hydration layer leads to high friction. When the distance between the surfaces is equal to or larger than 15Å, a bulk-water like layer forms, which leads to low friction. © 2017, Editorial Board of “Journal of Chemical Engineering of Chinese Universities”. All right reserved.
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页码：1433 / 1441
页数：8
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