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Estimating Antiwear Properties of Ionic Liquids as Lubricant Additives Using a QSTR Model

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成果类型:
期刊论文
作者:
Song, Ze;Chen, Tao;Wang, Tingting;Wang, Zhan;Gao, Xinlei*
通讯作者:
Gao, Xinlei
作者机构:
[Wang, Tingting; Gao, Xinlei; Song, Ze] Wuhan Polytech Univ, Sch Chem & Environm Engn, Wuhan 430023, Hubei, Peoples R China.
[Chen, Tao] Huazhong Univ Sci & Technol, Tongji Med Coll, Tongji Hosp, Wuhan 430030, Hubei, Peoples R China.
[Wang, Zhan] Wuhan Polytech Univ, Coll Food Sci & Engn, Wuhan 430023, Hubei, Peoples R China.
通讯机构:
[Gao, Xinlei] W
Wuhan Polytech Univ, Sch Chem & Environm Engn, Wuhan 430023, Hubei, Peoples R China.
语种:
英文
关键词:
ionic liquids;Hartree-Fock ab initio method;multiple linear regression;quantitative structure tribo-ability relationship;antiwear;hydrogen bond
期刊:
Journal of Tribology
ISSN:
0742-4787
年:
2019
卷:
141
期:
9
页码:
091801
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51675395]; Special Fund for Outstanding Young and Middle-aged Scientific and Technological Innovation Team in Hubei University [T201709]
机构署名:
本校为第一且通讯机构
院系归属:
食品科学与工程学院
化学与环境工程学院
摘要:
The antiwear properties of ionic liquids (ILs) as lubricant additives were studied with polyethylene glycol (PEG) used as the lubricant base oil. The quantum parameters of the ILs were calculated using a Hartree–Fock ab initio method. Correlation between the scale of the wear scar diameter and quantum parameters of the ILs was studied by multiple linear regression (MLR) analysis. A quantitative structure tribo-ability relationship (QSTR) model was built with a good fitting effect and predictive ability. The results show that the entropy of the...

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