INVESTIGATION ON THE EFFECT OF TIME AND ACIDITY ON THE INHIBITORY ACTION OF 2-METHYL BENZIMIDAZOLE

The inhibitory action of a model benzimidazole derivative, namely 2-methyl benzimidazole (2-MBI) on mild steel in different concentration HCl solutions was studied by weight loss. The results were used to describe the effect of environment corrosiveness on the inhibitory action of 2-MBI, on the other hand the effect of time was taken into account. Inhibition efficiencies increased with increasing concentration of inhibitor and HCl. The quantum chemical descriptors including: EHOMO, ELUMO, energy gap (E), dipole moment (μ), hardness (ƞ), softness (σ), electronegativity index (χ) and fraction of electrons transferred (N), that are most relevant to the potential action of a molecule as corrosion inhibitor, have been calculated in vacuum, water and protonated form of the molecule. Electronic parameters of these three inhibitors have been studied using DFT/B3LYP, and HF methods with 6-31G (d, p) basis set

Keywords:

benzimidazole , HCl , Weight loss , inhibitor , DFT