Tribochemical mechanism of ionic liquid [P6,6,6,14][BEHP] on ferrous surfaces

IF 6.1 1区工程技术 Q1 ENGINEERING, MECHANICAL

Tribology International Pub Date : 2025-03-15 DOI:10.1016/j.triboint.2025.110643

Xiaopeng Ruan , Xiaomei Wang , Yang Zhao , Rui Zhou , Luyao Bao , Feng Zhou , Zhibin Lu

{"title":"Tribochemical mechanism of ionic liquid [P6,6,6,14][BEHP] on ferrous surfaces","authors":"Xiaopeng Ruan , Xiaomei Wang , Yang Zhao , Rui Zhou , Luyao Bao , Feng Zhou , Zhibin Lu","doi":"10.1016/j.triboint.2025.110643","DOIUrl":null,"url":null,"abstract":"<div><div>The tribochemical reactions between [P<sub>6,6,6,14</sub>][BEHP] ionic liquid and ferrous surfaces are studied using reactive molecular simulations. The chemisorbed films initially develop through Fe−C, Fe−O, and Fe−P bonding, followed by decomposition of [P<sub>6,6,6,14</sub>][BEHP] generating free radicals, anions, and cations. Eventually, the cross-polymerization among [P<sub>6,6,6,14</sub>]<sup>+</sup>, [BEHP]<sup>-</sup> and their decomposition products leads to the tribofilm growth. The presence of base oil decreases the tribochemical reaction rate, it does not significantly alter the reaction pathways. And higher temperature significantly promotes tribochemical reactions rate, while the effect of normal stress is minimal and irregular. Furthermore, an electric field can direct reactive molecular species toward the substrate, thus, intensify the tribochemical reactions, and reduce the shear stress by improving the mobility of molecules. This work offers a comprehensive understanding of [P<sub>6,6,6,14</sub>][BEHP] tribofilm formation on ferrous interfaces.</div></div>","PeriodicalId":23238,"journal":{"name":"Tribology International","volume":"208 ","pages":"Article 110643"},"PeriodicalIF":6.1000,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Tribology International","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0301679X25001380","RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}

引用次数: 0

Abstract

The tribochemical reactions between [P_6,6,6,14][BEHP] ionic liquid and ferrous surfaces are studied using reactive molecular simulations. The chemisorbed films initially develop through Fe−C, Fe−O, and Fe−P bonding, followed by decomposition of [P_6,6,6,14][BEHP] generating free radicals, anions, and cations. Eventually, the cross-polymerization among [P_6,6,6,14]⁺, [BEHP]^- and their decomposition products leads to the tribofilm growth. The presence of base oil decreases the tribochemical reaction rate, it does not significantly alter the reaction pathways. And higher temperature significantly promotes tribochemical reactions rate, while the effect of normal stress is minimal and irregular. Furthermore, an electric field can direct reactive molecular species toward the substrate, thus, intensify the tribochemical reactions, and reduce the shear stress by improving the mobility of molecules. This work offers a comprehensive understanding of [P_6,6,6,14][BEHP] tribofilm formation on ferrous interfaces.

查看原文本刊更多论文

求助全文

约1分钟内获得全文求助全文

来源期刊

Tribology International 工程技术-工程：机械

CiteScore

10.10

自引率

16.10%

发文量

627

审稿时长

35 days

期刊介绍： Tribology is the science of rubbing surfaces and contributes to every facet of our everyday life, from live cell friction to engine lubrication and seismology. As such tribology is truly multidisciplinary and this extraordinary breadth of scientific interest is reflected in the scope of Tribology International. Tribology International seeks to publish original research papers of the highest scientific quality to provide an archival resource for scientists from all backgrounds. Written contributions are invited reporting experimental and modelling studies both in established areas of tribology and emerging fields. Scientific topics include the physics or chemistry of tribo-surfaces, bio-tribology, surface engineering and materials, contact mechanics, nano-tribology, lubricants and hydrodynamic lubrication.