标题：Investigation of Corrosion Inhibition Mechanism of Quinoline Derivative on Mild Steel in 1.0 M HCl Solution: Experimental, Theoretical and Monte Carlo Simulation
期刊名称：Journal of Materials and Environmental Science
印刷版ISSN：2028-2508
出版年度：2016
卷号：7
期号：9
页码：3193-3210
出版社：University of Mohammed Premier Oujda
摘要：The corrosion inhibition mechanism of 5-(((1H-benzimidazol-2-yl) thio) methyl) 8-quinolinol (BTQ8) on mild steel in 1.0 M HCl solution was investigated by weight loss, Tafel polarization and electrochemical impedance spectroscopy (EIS) techniques. The experimental results were supported by molecular dynamic simulation and DFT calculations. It was found that BTQ8 acts by adsorption on mild steel via chemical interactions and a protective film formation. Tafel polarization method shows that BTQ8 act as a mixed type inhibitor. The effect of temperature on the corrosion behavior of mild steel was studied in the range of 303–333 K. The results from this corrosion test clearly reveal that the inhibition efficiency (% IE) of BTQ8 increased with increasing inhibitor concentration and decreased with increase in temperatures and the adsorption process of inhibitors obeyed the Langmuir isotherm. Theoretical calculations are in good agreement with the experiments results.
关键词：Corrosion inhibition; quinoline; DFT; Molecular dynamic; mild steel; SEM
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