Insight into the corrosion inhibition of Ce-MOF on copper in aqueous chloride environment: From experimental validation to molecular-level prediction
Valentine Chikaodili Anadebe, Vitalis Ikenna Chukwuike, Ajeev John Porsia, Padhmanathan Ponnusamy, C. Natarajan, Rakesh Chandra Barik
Abstract
Currently, the demand for environmentally friendly corrosion inhibitors for marine environment is on the increase due to government regulations to phase out toxic ones. A new insight into room temperature incorporation of organic and inorganic materials to form an environmentally benign Ce-based metal organic framework (Ce-MOF) for corrosion inhibition of copper alloys in chloride rich environment becomes imperative. Ce-MOF contains O and N heteroatoms which can easily form compact-uniform layer on metallic surface to prevent corrosion attack. The inhibition potential of Ce-MOF was thus examined via combined electrochemical method, density functional theory (DFT) and molecular dynamics (MD) simulation. The overall results revealed a strong protection of copper in the presence of the formulated Ce-MOF compared to its absence.