Understanding the mechanism of organic corrosion inhibitors through density functional theory

• Published in: Korose a ochrana materiálu Vol. 68; no. 1; pp. 9 - 21
• Main Authors: Shaker, L.M., Al-Amiery, A .A., Al-Hamid, M. A. I., Al-Azzawi, W. K.
• Format: Journal Article
• Language: English
• Published: Prague Sciendo 01.03.2024; De Gruyter Poland
• Subjects: Corrosion; Corrosion effects; Corrosion inhibitors; Corrosion mechanisms; Corrosion tests; Density functional theory; Functional groups; Intermolecular forces; Metal surfaces; Molecular structure; Surface properties

Organic corrosion inhibitors have been widely used to prevent and mitigate the damaging effects of corrosion on metal surfaces. However, their underlying mechanisms of action and effectiveness are still not fully understood. In recent years, the use of density functional theory (DFT) has emerged as...