An electrochemical and theoretical approach towards the efficient microwave synthesis of imidazolium-based ionic liquids for unprecedented mild steel corrosion inhibition in 0.5 M H2SO4 solution

The inhibition potential of newly synthesized imidazolium-based ionic liquids (IL-1 and IL-2) on mild steel corrosion in a 0.5 M H 2 SO 4 solution has been comprehensively investigated using gravimetric analysis, potentiodynamic polarization, and electrochemical impedance spectroscopy across various temperatures. Gravimetric analysis indicated that the adsorption of these inhibitors adhered to the Langmuir adsorption isotherm. Significantly, IL-2, featuring a longer alkyl chain, demonstrated superior inhibition efficiency (92.51 % at 303 K) compared to IL-1 (88.71 % at 303 K). Potentiodynamic polarization studies revealed a mixed-type inhibitory behavior, impacting both anodic and cathodic reactions. Surface morphological analyses via SEM and EDX confirmed the formation of a protective film on the mild steel surfaces, substantiating the corrosion inhibition capabilities of IL-1 and IL-2. The novelty of this research lies in the application of density functional theory (DFT) using the B3LYP method, which elucidated that the alkyl chain length at the N-3 position in imidazolium cation-based ionic liquids significantly enhances their inhibition potential. This mechanistic insight suggests that these ionic liquids effectively obstruct both anodic and cathodic sites, providing robust corrosion protection in a 0.5 M H 2 SO 4 solution. • IL-2 showed 92.51% inhibition efficiency at 1000 ppm in 0.5 M H 2 SO 4 solution. • EIS confirmed a protective layer, increasing charge transfer resistance with inhibitors. • Potentiodynamic tests revealed I corr reduced to 92.29 μA/cm 2 for IL-2 at 1000 ppm. • Quantum analysis indicated strong adsorption and high molecular polarity for IL-2. • SEM confirmed better surface protection with higher concentrations of inhibitors.