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    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
    (Pergamon-Elsevier Science Ltd, 2016) Yılmaz, Nurdane; Fitoz, Alper; Ergun, Ümit; Emregül, Kaan C.
    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 (Delta E), dipole moment (mu) etc. were calculated using density functional theory (DFT) at B3LYP/6-31G(d,p) level. Theoretical and experimental results were in fairly good agreement. (C) 2016 Elsevier Ltd. All rights reserved.