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    Electrochemical and theoretical assessment of the effect of two biocides on the corrosion of petroleum steel in sulfur-polluted Black Sea water
    (Wiley-V C H Verlag Gmbh, 2019) Hasanzade, Rovshan; Bilgic, Semra; Gece, Ender Gökhan; Turksen, Ozlem
    Although the inhibitory effects of different biocides continue to gain ever-increasing importance, the corrosion inhibition of petroleum steel in the Black Sea water by such compounds remains largely uncharacterized. Thus, to study the effect of sulfate-reducing bacteria, corrosion parameters in oxygen-free medium contaminated with sulfur have been determined. The variation of corrosion rates with the addition of two biocides, glutaraldehyde (GA) and ammonium chloride (AC), has been determined by using Tafel extrapolation and linear polarization methods in sulfur-polluted seawater, both with and without biocides. Overall, this experimental work, also corroborated by theoretical data, reveals that some concentrations of GA and AC act as effective biocides in sulfur-polluted medium.
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    Molecular-Level Understanding of the Inhibition Efficiency of Some Inhibitors of Zinc Corrosion by Quantum Chemical Approach
    (Amer Chemical Soc, 2012) Gece, Ender Gökhan; Bilgic, Semra
    2-[4-(Methylthio) phenyl] acetohydrazide (HYD) and 5[4-(methylthio)benzyl]-4H-1,2,4-triazole-3-thiol (TRD) are compounds that contain methylthiophenyl moiety and substantially inhibit corrosion of zinc in acidic medium. The relationship between molecular structures and inhibition efficiencies of these intriguing inhibitors remains the subject of intense speculation, as introduction of thiophenyl group in strategic positions of many molecules alters their activity. We have performed density functional theory calculations at the B3LYP/6-311++G(d,p) level to analyze the inhibition mechanisms proposed for these compounds. In agreement with experiments, the results afford a full explanation of the highest efficiency observed for TRD in terms of electronic and structural characteristics.