Studies of antioxidant performance of amine additives in lubricating oil using 3D-QSAR

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

3 Scopus Citations
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Author(s)

  • ShengPeng Zhan
  • HaiTao Duan
  • HaiPing Xu
  • HongFei Shang
  • YongLiang Jin
  • Dan Jia
  • JieSong Tu
  • Jian Li

Detail(s)

Original languageEnglish
Pages (from-to)299-305
Journal / PublicationScience China Technological Sciences
Volume60
Issue number2
Publication statusPublished - 1 Feb 2017

Abstract

Available model of 3D-quantitative structure-activity relationship (3D-QSAR, the method of TopomerCoMFA) has been used to establish relationship between antioxidant performances of lubricating oil (trimethylolpropane trioleate, TMPTO) with 15 kinds of amine additives and its molecular structure. Correlation coefficient of the cross-validation (include internal q2 and external qpred 2) and conventional correlation coefficient showed the model to be both stable and good predictive. The electron-donating group and larger steric effects group are adopted at the para-position or meta-position of amido on the benzene ring, and suitably decreasing the branch chain near the para-position, these indicate that the antioxidant performance of amine additives can be enhanced. The results not only can help us understanding the rule of antioxidant performance, but also providing guidance(s) to predict antioxidant performance of existing amine additives and to design or modify new amine additives in lubricating oil.

Research Area(s)

  • amine additive, antioxidant performance, lubrication, QSAR, TopomerCoMFA

Citation Format(s)

Studies of antioxidant performance of amine additives in lubricating oil using 3D-QSAR. / Zhan, ShengPeng; Duan, HaiTao; Hua, Meng; Xu, HaiPing; Shang, HongFei; Jin, YongLiang; Jia, Dan; Tu, JieSong; Li, Jian.

In: Science China Technological Sciences, Vol. 60, No. 2, 01.02.2017, p. 299-305.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review