Mango extract behavior as a potent corrosion inhibitor against simulated chloride-contaminated concrete pore solution; coupled experimental and computer modeling studies

Abstract

Plants extracts are nominated as reliable green sources among all classes of effective materials for metals' corrosion mitigation in various aggressive media. Herein, Mango extract was announced as a potential candidate for declining the corrosion rate of mild steel in the simulated concrete pore solution (CPS). With aiding polarization and EIS tests, the mechanism and anti-corrosion performance of the inhibitor were investigated. Surface studies were also performed for studying the inhibitors' impact on the metal surface morphology after immersion in CPS. Besides, Quantum chemistry and atomistic simulations are covered to clarify the mechanism of protection on an atomic scale. The electrochemical claims represented the mixed type inhibition and slight anodic inhibition dominancy. 2 wt.% Mango extract could diminish metal corrosion rate in the harsh CPS by around 98% index. Also, molecular simulations (Monte Carlo, MC and Molecular Dynamics, MD) represented the spontaneous absorption of the complexed heavy molecules (coordination compounds of extract molecules and inorganic cations) owing to the negative adsorption energy. Additionally, the electronic-scale quantum chemistry modeling illustrated that the adsorption of complexes mainly happened through their electron-rich sites.