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Research Papers: Lubricants

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

[+] Author and Article Information
Ze Song

School of Chemical and Environmental Engineering,
Wuhan Polytechnic University,
Wuhan,
Hubei Province 430023, China
e-mail: Songz913@163.com

Tao Chen

Tongji Hospital Affiliated to Tongji Medical College of Huazhong University of Science and Technology,
Wuhan,
Hubei Province 430030, China
e-mail: tongji892@sina.com

Tingting Wang

School of Chemical and Environmental Engineering,
Wuhan Polytechnic University,
Wuhan,
Hubei Province 430023, China
e-mail: tt_wang88@163.com

Zhan Wang

College of Food Science and Engineering,
Wuhan Polytechnic University,
Wuhan,
Hubei Province 430023, China
e-mail: wangzh_whpu1165@163.com

Xinlei Gao

School of Chemical and Environmental Engineering,
Wuhan Polytechnic University,
Wuhan,
Hubei Province 430023, China
e-mail: gaoxl0131@163.com

1Corresponding author.

Contributed by the Tribology Division of ASME for publication in the Journal of Tribology. Manuscript received November 12, 2018; final manuscript received May 27, 2019; published online June 12, 2019. Assoc. Editor: Satish V. Kailas.

J. Tribol 141(9), 091801 (Jun 12, 2019) (7 pages) Paper No: TRIB-18-1476; doi: 10.1115/1.4043904 History: Received November 12, 2018; Accepted May 27, 2019

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 ILs is the main descriptor affecting the antiwear performance of the lubricant system. To improve the antiwear performance of the lubricants, the entropy of the system should be decreased, reducing the system randomness and increasing the system regularity. A major influencing factor on the entropy of a system is the intra- and intermolecular hydrogen bonds present. Therefore, enhanced antiwear properties of lubricants could be achieved with a three-dimensional netlike structure of lubricant formed by hydrogen bonding.

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Figures

Grahic Jump Location
Fig. 1

Prediction performance of the WSD scale for the developed QSTR model

Grahic Jump Location
Fig. 2

Distribution of the residual value of the developed QSTR model

Grahic Jump Location
Fig. 3

Structure of and hydrogen location in imidazole ionic liquids

Grahic Jump Location
Fig. 4

Spatial structure of ionic liquids

Grahic Jump Location
Fig. 5

Three-dimensional netlike structure

Grahic Jump Location
Fig. 6

Infrared spectrum of (IL6)

Grahic Jump Location
Fig. 7

Infrared spectrum of (IL4)

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