摘要
为了对比研究煤制油和传统矿物油作为工艺润滑基础油的摩擦学性能及其与分子结构间的耦合机理,分别以异构烷烃煤制油和矿物油(传统白油)为基础油,采用万能摩擦磨损试验机探究钢-铝接触模型下的磨损机理和润滑机理;同时,采用量子化学计算研究煤制油和矿物油的电子结构分布特征、全局反应活性和局域反应活性,进而结合试验研究,揭示2种基础油润滑性能与分子结构间的耦合机理。结果表明,煤制油在钢-铝摩擦副表面的摩擦系数对载荷和转速条件的敏感性较低。载荷高于75 N且转速达到500 r/min时,煤制油润滑性能优于矿物油。煤制油分子前线轨道分布呈非对称性特征,最低未占有轨道(LUMO)分布受碳链长度影响较小且仅分布于含支链侧碳链末端,而最高占有轨道(HOMO)分布受碳链长度影响较大且主要分布于主链。矿物油分子前线轨道分布具有对称性特征,随着碳链长度增加,分子末端前线轨道分布消失。煤制油能够以任意配置方式吸附,而矿物油只能以平行方式吸附于金属表面。
This study aims to comparatively analyze the tribological properties of coal-to-liquid and traditional mineral oil as the base oils for technological lubrication,as well as the coupling mechanism between tribological properties and molecular structures.Using the isoalkane coal-to-liquid and mineral oil as base oils,a universal friction and wear testing machine was employed to explore wear and lubrication mechanisms under the steel-aluminum contact model.Meanwhile,the quantum chemical calculation was used to study the electronic structure distribution,global and local reactivity of the two base oils.Combined with experimental studies,the coupling mechanism between the lubrication properties and molecular structure of the two base oils was revealed.The results show that the friction coefficient of coal-to-liquid on the steel-aluminum friction pair surface is less sensitive to the changes of load and rotate speed conditions.When the load is higher than 75 N and the rotate speed is up to 500 r/min,the lubrication performance of coal-based liquid is better than that of mineral oil.The frontier orbital distribution of coal-to-liquid molecules is asymmetrical.The lowest unoccupied orbital energies(LUMO)is less affected by the length of carbon chain and only distributed at the end of branched side carbon chain,while the highest occupied orbital energies(HOMO)is significantly affected by the length of carbon chain and mainly distributed along the main chain.However,the frontier orbital distribution of mineral oil molecules is symmetrical.With an increase in the length of carbon chain,the frontier orbital will disappear at the end of carbon chain.Coal-to-liquid can be adsorbed in any configuration mode,while mineral oil can only be adsorbed on the metal surface in a parallel manner.
作者
唐华杰
石新发
姜伟
黄瑛
孙建林
TANG Huajie;SHI Xinfa;JIANG Wei;HUANG Ying;SUN Jianlin(State Key Laboratory of Tribology in Advanced Equipment,Tsinghua University,Beijing 100084,China;Guangzhou Mechanical Engineering Research Institute Co.,Ltd.,Guangzhou 510000,China;School of Materials Science and Engineering,University of Science and Technology Beijing,Beijing 100083,China)
出处
《石油学报(石油加工)》
北大核心
2025年第5期1418-1429,共12页
Acta Petrolei Sinica(Petroleum Processing Section)
基金
国家资助博士后研究人员计划项目(GZB20230341)
中国博士后科学基金面上项目(2024M761643)
北京市自然科学基金青年项目(3254033)
工业摩擦润滑技术国家地方联合工程研究中心开放课题(2024-GD-003)资助。
关键词
煤制油
矿物油
磨损
润滑
量子化学计算
coal-to-liquid
mineral oil
wear
lubrication
quantum chemical calculation
作者简介
第一作者:唐华杰,男,助理研究员,博士,从事轧制油开发与应用、油基液体超滑研究,Tel:010-62333768,E-mail:tanghj7910@mail.tsinghua.edu.cn;通信作者:孙建林,男,教授,博士,从事金属成形工艺润滑及应用技术研究,Tel:010-62333768,E-mail:sjl@ustb.edu.cn。
