Quantitative structure-properties relationship and molecular design of some anti-wear lubricant additives
In-silico QSPR and MD simulation methods were adopted to effectively design new lubricant anti-wear additive compounds as an alternative to zinc dialkyl dithiophosphate (ZDDP) which was reported to contribute to environmental pollution. Some QSPR linear models were developed out of which the best mo...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2020-10-01
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| Series: | South African Journal of Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1026918520300433 |