Abstract
The use of opuntia ficus indica stem extract as a mild steel corrosion inhibitor in 2.0 M HCl solution was investigated by weight loss measurements, potentiodynamic polarization and Electrochmical impedance spectroscopy (EIS) methods. The weight loss results showed that opuntia stem is an excellent corrosion inhibitor for mild steel immersed in 2.0 M HCl. EIS measurements showed an increase in the transfer resistance with the increase of inhibitor concentration. In addition, the inhibition action of the extract was discussed in view of Langmuir adsorption isotherm. It was found that the presence of extract increases the activation energy of the corrosion reaction. In order to explain which components of opuntia stem extract is the most efficient inhibitor, quantum chemical calculations of 8 constituent molecules of extract were applied. The correlation between inhibitive effect and molecular structures was investigated. Some parameters, such as EHOMO, ELUMO, gap energy (ΔE), electronegativity (χ), global hardness (η) and the fraction of electrons transferred from the inhibitor molecule to the metallic atom (ΔN) were calculated. The direction of dipole moment μ→, location of HOMO orbitals and NBO charges of atoms can determine how to connect the molecules on the surface of the metal.
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