DFT calculation and MD simulation studies on Gemini surfactant corrosion inhibitor in acetic acid media
Gemini surfactant corrosion inhibitor (CI) is one type of CI mainly used in mitigating corrosion in the complex system of oil/gas production industries. Computer modeling methods such as density functional theory (DFT) calculation and molecular dynamic (MD) simulation are required to develop new CI...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI
2023
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| Subjects: | |
| Online Access: | http://eprints.utm.my/106480/1/JuanMatmin2023_DFTCalculationandMDSimulationStudies.pdf |