Comprehensive quality evaluation of anti-wear properties and oxidation stability of different vegetable oils based on QSPR-factor analysis

Abstract

With the increasing awareness of human environmental protection, it is urgent to find potential bio-lubricants. Vegetable oil has attracted the interest of scientists because of its good lubricity and biodegradability. The external properties of vegetable oils are closely related to their internal chemical composition. Fatty acids are the main chemical components in vegetable oils. The industrial capacity of fatty acids is accurately predicted and evaluated by theory, which is very helpful for the auxiliary design of green lubricants. Combining 9 meaningful molecular descriptors and principal component regression, a calculation scheme for predicting the anti-wear properties of fatty acids and vegetable oils was proposed. The training set and validation set of the model proved that the model had excellent predictive performance. Then, on this basis, through literature retrieval and factor score study, the research group successfully screened out a class of vegetable oils with the broadest industrial application potential, including yuzu, sesame, olive and so on. This project aims to provide new ideas about the design of green bio-based lubricants and to promote the development of vegetable oils in the industry.