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Studies of Iron Corrosion Inhibition Using Chemical, Electrochemical and Computer Simulation Techniques by K.F. Khaled is a Engineering article available to read on EtoBox.

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The inhibitive action of some benzimidazole derivatives namely 2-(2-furanyl)-1H-benzimidazole (FB), 2-(2-pyridyl) benzimidazole (PB) and 2-(4-thiazolyl) benzimidazole (TB), against the corrosion of iron in solutions of nitric acid has been studied using density function theory calculations (DFT), weight loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The calculated electronic parameters involved in the activity of the benzimidazole derivatives confirmed that the position of the side chain in the benzimidazole moiety affects the pattern of activity. The effectiveness of the benzimidazole derivatives is following the order TB > PB > FB. The same order is supported by the experimental chemical and electrochemical measurements. The relationships between inhibition efficiency of iron in 1.0 M HNO 3 and the molecular orbitals of the studied molecules as well as number of electrons transferred N from the inhibitor molecules to the iron surface were calculated by DFT method. The inhibition efficiency increased with the increase in E HOMO and decrease in E LUMO -E HOMO . TB had the highest inhibition efficiency because it had the highest HOMO energy and

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Author

K.F. Khaled

Publisher

Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0013-4686)

Published

2010

Language

EN

Field

Engineering (Physical Sciences)