Insight into the corrosion inhibition of Ce-MOF on copper in aqueous chloride environment: From experimental validation to molecular-level prediction

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.