N. Yılmaz, Alper Fitoz, ÿmit Ergun
Oct 1, 2016
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Quality indicators
Journal
Corrosion Science
Abstract
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 (E pzc ), was also determined for evaluation of the adsorption mechanism. Quantum chemical parameters such as highest occupied molecular orbital energy (E HOMO ), lowest unoccupied molecular orbital energy (E LUMO ), energy gap (οE), 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.