Molecular Design and Dynamic Simulations of Some Novel Antioxidant Lubricant Additives
A quantitative structure-property relationship (QSPR) in-silico study was performed to develop a mathematical model that correlates 2D and 3D descriptors of 37 antioxidant lubricant additives (compounds) with their properties. A molecular dynamics simulation study was also carried out to access t...
Main Authors: | Usman Abdulfatai, Adamu Uzairu, Sani Uba, Adamu Shallangwa Gideon |
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Format: | Article |
Language: | English |
Published: |
University of Tehran
2021-06-01
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Series: | Journal of Chemical and Petroleum Engineering |
Subjects: | |
Online Access: | https://jchpe.ut.ac.ir/article_79412_326fe24972b93cb0761a1a294ec39b5c.pdf |
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