DFT and Electrochemical Study of Novel Green Corrosion Inhibitor (Pyrantrin) for 1100-H14 Aluminum Corrosion Remediation in 1 M H2SO4 Acidic Environment

Abstract

The study on Corrosion Inhibition of 1100-H14 Aluminum in H2SO4 Acidic Deploying pyrantrin as a Green Inhibitor was investigated by adopting different experimental methods, including weight loss, electrochemical impedance spectroscopic, potentiodynamic polarization, and computational methods. It was observed that pyrantrin was a good inhibitor for the 1100–H14–type aluminum. Inhibition efficiency was recorded between 42.5 % and 95.2 % for aluminum at 500 ppm and 1500 ppm concentrations. This high inhibition efficiency was attributed to the strong adsorption of the molecules on both metal surfaces. Electrochemical impedance showed higher and increasing charge transfer resistance values and decreasing values for the double-layer capacitance, indicating better inhibition. From quantum calculations, the EHOMO value was higher than that of the ELUMO, while the energy gap was calculated to be 1.9 with a binding energy of 132.9, indicating stronger adsorption and inhibition.