宝鸡文理学院学报(自然科学版)2024,Vol.44Issue(2) :28-34.DOI:10.13467/j.cnki.jbuns.2024.02.005

干摩擦和水润滑条件下丁腈橡胶摩擦学性能的分子动力学研究

Molecular dynamics study of tribological properties of nitrile butadiene rubber under dry friction and water lubrication

闫英男 邵明超
宝鸡文理学院学报(自然科学版)2024,Vol.44Issue(2) :28-34.DOI:10.13467/j.cnki.jbuns.2024.02.005

干摩擦和水润滑条件下丁腈橡胶摩擦学性能的分子动力学研究

Molecular dynamics study of tribological properties of nitrile butadiene rubber under dry friction and water lubrication

闫英男 1邵明超2
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作者信息

  • 1. 兰州石化职业技术大学信息工程学院,甘肃兰州 730060
  • 2. 中国科学院兰州化学物理研究所材料磨损与防护重点实验室,甘肃兰州 730000
  • 折叠

摘要

目的 探究丁腈橡胶(NBR)在干摩擦和水润滑条件下的微观润滑机理.方法 通过分子动力学(MD)模拟NBR在干摩擦和水润滑条件下的摩擦学性能.结果 水润滑条件下,NBR的摩擦系数和磨损率比干摩擦条件分别降低了 75%和90%.这主要源于水分子在摩擦界面的作用,它不仅降低了界面温度(从331 K降至301 K),而且提高了原子浓度和速度(分别增加约49%和6倍).此外,径向分布函数(RDF)、均方位移(MSD)和动能的模拟分析表明,水分子的加入削弱了对偶与NBR分子链之间的相互作用力,进而形成稳定的润滑膜.结论 润滑膜的形成是改善NBR摩擦学性能的根本原因.该研究从原子层面深入理解了润滑机理.

Abstract

Purposes—To investigate the micro-lubrication mechanism of nitrile butadiene rubber(NBR)under dry friction and water lubrication.Methods—The tribological properties of NBR under dry friction and water lubrication are simulated by molecular dynamics(MD).Results—Compared with dry friction,the friction coefficient and wear rate of NBR under water lubrication are reduced by 75%and 90%respectively.This is mainly due to the action of water molecules at the friction inter-face,which not only reduces the interface temperature(from 331 K to 301 K),but also increases the atomic concentration and velocity(by about 49%and 6 times,respectively).In addition,through the simulation analysis of radial distribution function(RDF),mean square displacement(MSD)and ki-netic energy,it is found that the interaction between the countpart and NBR molecular chains is weak-ened by the addition of water molecules,and a stable lubricating film is formed.Conclusions—The for-mation of lubricating film is the fundamental reason for improving the tribological properties of NBR.This re-search provides an in-depth understanding of the lubrication mechanism at the atomic level.

关键词

摩擦磨损/分子动力学模拟/水润滑/丁腈橡胶

Key words

friction and wear/molecular dynamic simulation/water lubrication/nitrile butadiene rubber

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基金项目

兰州石化职业技术大学科学研究项目(2023KY-07)

出版年

2024
宝鸡文理学院学报(自然科学版)
宝鸡文理学院

宝鸡文理学院学报(自然科学版)

影响因子:0.356
ISSN:1007-1261
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