Evaluation of Anti-wear Properties of Different Vegetable Oils Based on QSPR Model

Vegetable oils can be used as an alternative to traditional mineral-based lubricants because of their biodegradation and good lubrication. Considering that vegetable oils are mixtures composed of different types and proportions of fatty acids, if the structure–activity relationship between their che...

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Bibliographic Details
Published in:Tribology letters 2023-06, Vol.71 (2), p.35, Article 35
Main Authors: Liu, Jianfang, Zhang, Rongrong, Yang, Sicheng, Liu, Ting, Yi, Chenglingzi, Zhang, Yaoyun, Jia, Dan
Format: Article
Language:English
Subjects:
Biodegradation
Chemical activity
Chemistry and Materials Science
Cluster analysis
Corrosion and Coatings
Diameters
Evaluation
Fatty acids
Industrial applications
Lubricants
Lubricants & lubrication
Materials Science
Nanotechnology
Original Paper
Physical Chemistry
Predictions
Surfaces and Interfaces
Theoretical and Applied Mechanics
Thin Films
Tribology
Vegetable oils
Wear resistance
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Summary:Vegetable oils can be used as an alternative to traditional mineral-based lubricants because of their biodegradation and good lubrication. Considering that vegetable oils are mixtures composed of different types and proportions of fatty acids, if the structure–activity relationship between their chemical structures and anti-wear properties can be obtained, those unknown vegetable oils’ anti-wear performances can be predicted accurately. The quantitative structure–property relationship (QSPR) model of the fatty acid structure and the wear scar diameter (WSD) measured by four-ball friction test was established by selecting meaningful molecular descriptors, including the Balaban index, Estate keys and Molecular shadow index. Based on the model with adjusted R 2 more than 0.9, the anti-wear properties of fatty acids and vegetable oils were predicted, showing good prediction ability and low deviation. On the basis of 39 different fatty acid composition reported, cluster analysis (CA) and anti-wear property evaluation of vegetable oils were carried out. It was found that fatty acids with carbon length of 18 and short chain fatty acids had adverse effects on the wear resistance of vegetable oils, which provided reference data for the industrial application of vegetable oils. Graphical abstract
ISSN:1023-8883
1573-2711
DOI:10.1007/s11249-023-01704-9