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Experimental and computational investigations of corrosion and corrosion inhibition of iron in acid solutions

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Abstract

The corrosion inhibition of iron in 1.0 M HNO3 by some benzimidazole derivatives, namely 2-(aminomethyl)benzimidazole, 2-(chloromethyl)benzimidazole, and 2-(methylthio)benzimidazole has been studied using weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopy. The results showed that the inhibition efficiency increased with the increase of benzimidazole derivatives concentration and the higher inhibition efficiency is obtained for 2-(aminomethyl)benzimidazole. Quantum chemical calculations and molecular dynamics (MD) simulations were used to evaluate the structural, electronic, and reactivity parameters of the selected benzimidazole derivatives. The MD method has also been used to simulate the adsorption of the selected benzimidazole derivatives and solvent ions on the iron surface.

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Acknowledgment

Author is grateful for the financial support for the computational work which added to the revised version of this paper provided by the center of research excellence in corrosion at King Fahd University project # CR-03-2010.

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Authors and Affiliations

  1. Electrochemistry Research Laboratory, Chemistry Department, Faculty of Education, Ain Shams University, Roxy, Cairo, Egypt

    K. F. Khaled

  2. Materials and Corrosion Laboratory, Chemistry Department, Faculty of Science, Taif University, Taif, Hawiya, 888, Kingdom of Saudi Arabia

    K. F. Khaled

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  1. K. F. Khaled
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Correspondence to K. F. Khaled.

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Khaled, K.F. Experimental and computational investigations of corrosion and corrosion inhibition of iron in acid solutions. J Appl Electrochem 41, 277–287 (2011). https://doi.org/10.1007/s10800-010-0235-2

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