Ampicillin potentials as Corrosion Inhibitor: fukui function calculations using B3-YLP exchange correlation

Abstract

Inhibition and adsorption potentials of ampicillin for the corrosion of mild steel in solutions of HCl have been investigated using empirical and computational approach. The experimental study was carried out using gravimetric and Fourier transform infrared spectroscopy methods of monitoring corrosion while the computational study was carried out using quantum chemical approach via Hyperchem program suit. The results obtained showed that various concentrations of ampicillin inhibited the corrosion of mild steel in solutions of HCl through the mechanism of physiosorption. The adsorption of ampicillin on mild steel surface was found to be exothermic, and spontaneous, and fitted the Langmuir adsorption model. DFT study has been used to identify the site for electrophillic and nucleophillic attack through B3-YLP exchange correlation fukui function computation