Environment-Friendly Corrosion Inhibitors for Aluminum in Hydrochloric Acid: Quantum and Experimental Research

Abstract

Environment-friendly materials (e.g., Honey and Mint) are used as corrosion inhibitors for aluminum in hydrochloric acid (HCl) using both the density functional theory (DFT) at the B3LYP/6–31G* basis set level and semi-empirical methods (AM1, PM3, MINDO, and RM1). The aim of this study is to investigate the inhibition efficiency (%IE) in terms of their molecular structure. The quantum chemical parameters such as the highest occupied molecular orbital energy (EHOMO), the lowest unoccupied molecular orbital energy (ELUMO), the energy gap (ΔE), the charge on the reactive core, the hardness (η), and the total energy have all been computed. The MINDO method was used to measure the electronic energies and charge densities of the inhibitors that were used. Theoretical calculations were also carried out, with the findings correlating well with the experimental data. Gravimetry and gasometry measurements were used to investigate the effects of honey and mint on aluminum corrosion in a 1.0 M hydrochloric acid (HCl) solution. In acid solutions, honey and mint were found to be effective inhibitors of aluminum corrosion, with honey being the better option. Because of the adsorption of its components on aluminum surfaces, the inhibitory effect of the used inhibitors was addressed. The higher dipole moment of honey than that of mint caused the adsorption of honey on the aluminum surface better. The IEs measured by gravimetry and gasometry are almost identical.

Keywords

• density functional theory (DFT)
• semi-empirical methods
• honey
• mint
• aluminum corrosion
• gravimetry