Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations

Junqin Shi; Hang Li; Yang Lu; Lin Sun; Shaofeng Xu; Xiaoli Fan

doi:10.1016/j.apsusc.2023.157087

Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations

Junqin Shi, Hang Li, Yang Lu, Lin Sun, Shaofeng Xu, Xiaoli Fan

School of Materials Sience and Engineering

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The synergistic effect of organic friction modifiers (OFMs) combining glycerol monolaurate (GML) and tri-n-octylamine (N888) in base oil is studied by molecular dynamics simulations. The adsorption and shear behaviors indicate that the triple-chains N888 molecules intersperse among the long-chain GLM molecules to form an intercoordination adsorption film. The system with a number ratio of 3:1 of GML to N888 shows a better synergistic lubrication with the lowest friction coefficient. The chemisorption of GML molecules on Fe₂O₃ surface is verified by density function theory. High shear velocity accompanying friction heat causes adsorption film breakage and high friction, while contact pressure conduces to friction reduction. The synergistic lubrication is attributed to the interface slip between base oil and OFM films, rather than the interlaminar shear caused by an imbalanced combination or high shear velocity.

Original language	English
Article number	157087
Journal	Applied Surface Science
Volume	623
DOIs	https://doi.org/10.1016/j.apsusc.2023.157087
State	Published - 30 Jun 2023

Keywords

Boundary lubrication
Organic friction modifier
Slip plane
Synergistic lubrication

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10.1016/j.apsusc.2023.157087

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title = "Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations",

abstract = "The synergistic effect of organic friction modifiers (OFMs) combining glycerol monolaurate (GML) and tri-n-octylamine (N888) in base oil is studied by molecular dynamics simulations. The adsorption and shear behaviors indicate that the triple-chains N888 molecules intersperse among the long-chain GLM molecules to form an intercoordination adsorption film. The system with a number ratio of 3:1 of GML to N888 shows a better synergistic lubrication with the lowest friction coefficient. The chemisorption of GML molecules on Fe2O3 surface is verified by density function theory. High shear velocity accompanying friction heat causes adsorption film breakage and high friction, while contact pressure conduces to friction reduction. The synergistic lubrication is attributed to the interface slip between base oil and OFM films, rather than the interlaminar shear caused by an imbalanced combination or high shear velocity.",

keywords = "Boundary lubrication, Organic friction modifier, Slip plane, Synergistic lubrication",

author = "Junqin Shi and Hang Li and Yang Lu and Lin Sun and Shaofeng Xu and Xiaoli Fan",

note = "Publisher Copyright: {\textcopyright} 2023 Elsevier B.V.",

year = "2023",

month = jun,

day = "30",

doi = "10.1016/j.apsusc.2023.157087",

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journal = "Applied Surface Science",

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TY - JOUR

T1 - Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations

AU - Shi, Junqin

AU - Li, Hang

AU - Lu, Yang

AU - Sun, Lin

AU - Xu, Shaofeng

AU - Fan, Xiaoli

PY - 2023/6/30

Y1 - 2023/6/30

N2 - The synergistic effect of organic friction modifiers (OFMs) combining glycerol monolaurate (GML) and tri-n-octylamine (N888) in base oil is studied by molecular dynamics simulations. The adsorption and shear behaviors indicate that the triple-chains N888 molecules intersperse among the long-chain GLM molecules to form an intercoordination adsorption film. The system with a number ratio of 3:1 of GML to N888 shows a better synergistic lubrication with the lowest friction coefficient. The chemisorption of GML molecules on Fe2O3 surface is verified by density function theory. High shear velocity accompanying friction heat causes adsorption film breakage and high friction, while contact pressure conduces to friction reduction. The synergistic lubrication is attributed to the interface slip between base oil and OFM films, rather than the interlaminar shear caused by an imbalanced combination or high shear velocity.

AB - The synergistic effect of organic friction modifiers (OFMs) combining glycerol monolaurate (GML) and tri-n-octylamine (N888) in base oil is studied by molecular dynamics simulations. The adsorption and shear behaviors indicate that the triple-chains N888 molecules intersperse among the long-chain GLM molecules to form an intercoordination adsorption film. The system with a number ratio of 3:1 of GML to N888 shows a better synergistic lubrication with the lowest friction coefficient. The chemisorption of GML molecules on Fe2O3 surface is verified by density function theory. High shear velocity accompanying friction heat causes adsorption film breakage and high friction, while contact pressure conduces to friction reduction. The synergistic lubrication is attributed to the interface slip between base oil and OFM films, rather than the interlaminar shear caused by an imbalanced combination or high shear velocity.

KW - Boundary lubrication

KW - Organic friction modifier

KW - Slip plane

KW - Synergistic lubrication

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U2 - 10.1016/j.apsusc.2023.157087

DO - 10.1016/j.apsusc.2023.157087

M3 - 文章

AN - SCOPUS:85150917850

SN - 0169-4332

VL - 623

JO - Applied Surface Science

JF - Applied Surface Science

M1 - 157087

ER -

Synergistic lubrication of organic friction modifiers in boundary lubrication regime by molecular dynamics simulations

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Keywords

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