Experimental and Theoretical Investigation by DFT on the Some Azole Antifungal Drugs as Green Corrosion Inhibitors for Aluminum in 1.0M HCl

Abstract

The inhibiting power of three compounds of azole antifungal drugs to ward the dissolution of aluminum in 1.0 MHCl solutions was elaborated using chemical, electrochemical and theoretical investigation by DFT. The azole antifungal drugs to minimize the corrosion rate of Al by diminishing the values of weight loss, corrosion current density and double layer capacitance and the values the inhibition efficiency increases. Azole antifungal drugs behaved as mixed inhibitors. The adsorption of these drugs at the interface between the Al and the electrolyte solution are responsible for the inhibition process according to Temkin’s isotherm. The quantum chemical parameters studies supported the sequence of the percentage inhibition efficiency obtained by chemical and electrochemical measurements.