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A Quantitative Structure Tribo-Ability Relationship Model for Predicting the Antiwear Properties of Ionic Liquids as Lubricant Additives in Dimethyl Sulfoxide

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成果类型:
期刊论文
作者:
Zhao, Jiang;Gao, Xinlei*;Chen, Tao;Wang, Tingting;Li, Yang
通讯作者:
Gao, Xinlei
作者机构:
[Wang, Tingting; Gao, Xinlei; Zhao, Jiang; Li, Yang] Wuhan Polytech Univ, Sch Chem & Environm Engn, Wuhan 430023, Hubei, Peoples R China.
[Gao, Xinlei] Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricant, Lanzhou 730000, Gansu, Peoples R China.
[Chen, Tao] Univ Sci & Technol, Tongji Hosp Affiliated Tongji, Med Coll Huazhong, Wuhan 430030, Hubei, Peoples R China.
通讯机构:
[Gao, Xinlei] W
[Gao, Xinlei] C
Wuhan Polytech Univ, Sch Chem & Environm Engn, Wuhan 430023, Hubei, Peoples R China.
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricant, Lanzhou 730000, Gansu, Peoples R China.
语种:
英文
关键词:
ionic liquid;ab initio Hartree–Fock calculation;antiwear;entropy;hydrogen bond;lubricant additives
期刊:
Journal of Tribology
ISSN:
0742-4787
年:
2020
卷:
142
期:
10
页码:
101901
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:
化学与环境工程学院
摘要:
Abstract The structural parameters of 23 ionic liquids were calculated by the Hartree–Fock ab initio method. The relationship between the antiwear properties of ionic liquids dissolved in dimethyl sulfoxide and the structural parameters of the ionic liquids was studied using multiple linear regression analysis. A quantitative structure tribo-ability relationship model with good fitting and prediction ability was established. The results show that entropy is the most important structural parameter affecting the antiwear performance of ionic li...

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