A combined electrochemical and theoretical study into the effect of 2-((thiazole-2-ylimino)methyl)phenol as a corrosion inhibitor for mild steel in a highly acidic environment. (October 2016) - Yilmaz, Nurdane
Graphical abstract: Highlights: THYMP behaves as a mixed-type inhibitors in 2 M HCl. SEM micrographs show a smoother surface for inhibited metal samples than uninhibited samples due to the formation of a thin film. Abstract: 2-((Thiazole-2-ylimino)methyl)phenol (THYMP) was studied as a corrosion inhibitor for the protection of mild steel in 2 M HCl solution by means of weight loss, polarization, electrochemical impedance spectroscopy and scanning electron microscopy. The potential of zero charge (Epzc ), was also determined for evaluation of the adsorption mechanism. Quantum chemical parameters such as highest occupied molecular orbital energy (EHOMO ), lowest unoccupied molecular orbital energy (ELUMO ), energy gap (ΔE), dipole moment (μ) etc. were calculated using density functional theory (DFT) at B3LYP/6-31G(d, p) level. Theoretical and experimental results were in fairly good agreement.