Theoretical evaluation of corrosion inhibition performance of imidazoline compounds with different hydrophilic groups

A Review of CO2Corrosion Inhibition by Imidazoline-based Inhibitor

“…This is attributed to the tendency of the inhibitor molecules to repel each other [11]. The pendant side chain R2 likewise can significantly influence the molecular reactivity and binding strength between the inhibitor self-assembled monolayer and iron surface, and also the compactness of the self-assembled layer [16].…”

Recent Advances in Computational Design of Organic Materials for Corrosion Protection of Steel in Aqueous Media

“…Corrosion inhibition performance of four 1-R-2-undecyl-imidazoline compounds (R=CH 2 COOH (A), CH 2 CH 2 OH (B), CH 2 CH 2 NH 2 (C) and H (D)) for carbon steel was evaluated by quantum chemistry and molecular mechanics methods [42]. The quantum chemical study such as E HOMO , E LUMO , and global reactivity parameters indicates that the inhibition efficiency of the four inhibitors followed the order of A > B > C > D. Further investigation using molecular mechanics method showed that these inhibitor molecules would form a self assembled monolayer (SAM) on the Fe surface, and related parameters such as alkyl chain distance, title angle, interaction energy, and cohesive energy were compared.…”

A Theoretical Study of Carbohydrates as Corrosion Inhibitors of Iron

“…The inhibition efficiency of an inhibitor depends on the characteristics of the environment, the nature of the metal surface, the structure of the inhibitor, and the formation of metallic complexes [14]. Many organic inhibitors have been used on different metals, such as xanthene [15,16], triazoles [17], imidazoline [18], pyrrolidinnoles [19], triphenyltin2-thiophene carboxylate [20], pyrazole [21], and tetrazole [22].…”