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Öğe A computational study of two hexitol borates as corrosion inhibitors for steel(Vserossiiskaya Assotsiatsiya Korrozionistov, 2017) Gece, Ender Gökhan; Bilgic, S.Herein we investigated computationally the inhibition characteristics of sodium sorbitol borate and sodium mannitol borate on steel corrosion in aqueous media using density functional theory (DFT). To further our understanding of the role of energetic parameters on inhibition by these compounds, quantum chemical parameters such as the highest occupied molecular orbital energy (E-HOMO), the lowest unoccupied molecular orbital energy (E-LUMO), and energy gap (Delta E) have been calculated at the B3LYP/6-311++G(d,p) basis set. The results of theoretical calculations confirm the experimental findings on the superiority of sodium sorbitol borate to protect the corrosion of steel in aqueous media compared to sodium mannitol borate.Öğe Experimental and theoretical study of the inhibition effects of some Schiff bases as corrosion inhibitors of aluminium in HCl(Wiley-V C H Verlag Gmbh, 2012) Aytac, A.; Bilgic, S.; Gece, Ender Gökhan; Ancin, N.; Oztas, S. G.The inhibition efficiencies of two new synthesized Schiff bases have been investigated for aluminium in 0.5?M HCl solution using experimental and theoretical methods. Potentiodynamic polarization and EIS method were used to determine the inhibition efficiencies. From the experimental results it has been found that both compounds adsorb on the aluminium surface according to the Temkin adsorption isotherm. Quantum chemical calculations were further applied to reveal the adsorption structure and explain the experimental results. A good correlation between the quantum chemical parameters and the experimental inhibition efficiency has been found.Öğe Inhibition of Armco iron corrosion in 1 M HCl medium using saponin: Experimental and computational studies(Vserossiiskaya Assotsiatsiya Korrozionistov, 2020) Sahin, M.; Bilgic, S.; Gece, Ender GökhanThere is a dire need in recent years for new eco-friendly compounds to combat the threat of metal corrosion. For this purpose, the present work was devoted to testing the saponin extracted from Gypsophila simonii plant which is a native species in Turkey as a corrosion inhibitor for Armco iron in 1 M HCl solution through Tafel extrapolation and linear polarization techniques, as well as theoretical approach for the evaluation of the inhibition efficiency at different temperatures. Corrosion current densities, percentage inhibition efficiencies, and surface coverage degrees have been determined. The results obtained showed that when the concentrations of saponin increased, corrosion rates decreased at all temperatures studied. However, the increase in temperatures resulted in a decrease in inhibition efficiency. It has been determined that saponin prevents the corrosion due to adsorption on the iron surface and obeys Langmuir isotherm, which has also been borne out by scanning electron microscopy and density functional theory studies.