Theoretical prediction of corrosion inhibition by ionic liquid derivatives: a DFT and molecular dynamics approach.

ABSTRACT: Ionic liquids (ILs) have recently attracted significant attention in many domains, particularly as potential corrosion inhibitors owing to their outstanding properties, including low vapor pressure, high thermal and chemical stability, and the ability to be tailored for specific applications. Their effectiveness results mainly from their ability to strongly interact with metal surfaces, often via electrostatic and chemical interactions, thereby forming a protective barrier against corrosion. This study investigated three ionic liquids (ILs), namely, 3-(5-ethoxy-5-oxopentyl)-1-phenethyl-1H-imidazol-3-ium bromide ([5E5O-Imid] Br), 3-(6-ethoxy-6-oxohexyl)-1-phenethyl-1H-imidazol-3-ium bromide ([6E6O-Imid] Br), and 3-(4-acetoxybutyl)-1-phenethyl-1H-imidazol-3-ium br

SUBMITTER: Omari Alaoui A 

PROVIDER: S-EPMC12012604 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature