Quantitative structure-properties relationship, molecular dynamic simulations and designs of some novel lubricant additives

Quantitative structure-properties relationship (QSPR) method was used to design some novel antioxidant lubricant additives, while molecular dynamics simulations were used to calculate their dynamic binding energies on steel and to hydrogen-containing DLC (a-C: H) crystal surfaces. 29 synthesized ant...

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Bibliographic Details
Main Authors: Usman Abdulfatai, Adamu Uzairu, Sani Uba, Gideon Adamu Shallangwa
Format: Article
Language:English
Published: Egyptian Petroleum Research Institute 2019-06-01
Series:Egyptian Journal of Petroleum
Online Access:http://www.sciencedirect.com/science/article/pii/S1110062119300443
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