Heteroatom-containing phosphoramides as carbon steel corrosion inhibitors: Density functional theory and molecular dynamics simulations

Heteroatom-containing phosphoramides as carbon steel corrosion inhibitors: Density functional theory and molecular dynamics simulations

In an attempt to introduce a new class of carbon steel corrosion inhibitors, the anti-corrosion properties of two heteroatom-containing phosphoramides; N-(5-methylisoxazol-3-yl)-P,P-diphenylphosphinic amide (MAPP) and diphenyl (5-methylisoxazol-3-yl)phosphoramidate (PMAP) were theoretically investig...

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Bibliographic Details
Main Authors: Khodayar Gholivand, Leila Sarmadi-Babaee, Mohammad Faraghi, Farideh Badalkhani-Khamseh, Nasrin Fallah
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Chemical Physics Impact
Subjects:
Corrosion inhibitors
Phosphoramide
Density functional theory (DFT)
Molecular dynamics (MD) simulations
Carbon steel
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022422000378

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http://www.sciencedirect.com/science/article/pii/S2667022422000378

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