Elucidating detailed experimental and fundamental understandings concerning the green organic-inorganic corrosion inhibiting molecules onto steel in chloride solution

In this study, comprehensive macroscopic/microscopic level explorations using integrated experimental/theoretical approaches are applied to fundamentally evaluate the impact of non-toxic rare earth cerium (III) ions addition to the Chicory leaves extract (CLE) on mild steel (MS) corrosion mitigation in saline solution. Surface studies confirmed the cerium oxides/hydroxide (CeO2 and Ce(OH)(3)) as well as CLE-Ce3+ and CLE-Fe2+ complexes formation on MS surface. Results demonstrated that in the presence of the mixture of CLE (400 mg/L) and Ce3+ ions (400 mg/L) the anodic/cathodic reactions were remarkably affected. The corrosion resistance of the MS sample subjected to CLE (400 mg/L)-Ce3+ ions (400 mg/L) significantly increased, yielding 94% efficiency. Additionally, the microscopic level (i.e., electronic/atomic) theoretical assessments (density functional theory (DFT), molecular dynamics (MD), Monte Carlo (MC)) were adopted to basically probe the mixed green organic-inorganic adsorption affinity and local adsorptivity and reactivity on the steel based adsorbents. (C) 2019 Elsevier B.V. All rights reserved.