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