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: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
University of Tehran
2021-06-01
|
| Series: | Journal of Chemical and Petroleum Engineering |
| Subjects: | |
| Online Access: | https://jchpe.ut.ac.ir/article_79412_326fe24972b93cb0761a1a294ec39b5c.pdf |