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Vol. 25 No. 4 (2013): Vol 25 Issue 4

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Corrosion Inhibition Mechanism of Benzimidazole and Its Derivatives on Mild Steel: Quantitative Structure and Property Relationship Study

https://doi.org/10.14233/ajchem.2013.13197
Guangzeng Liu
State Key Laboratory of Crystal Material, Shandong University, Jinan 250100, P.R. China ; Department of Chemistry, Advance Material Institute of Research, Qilu Normal University, Jinan 250013, P.R. China ; Department of Materials, Shandong Jianzhu University, Jinan 250101, P.R. China ; Key Laboratory of Colloid and Interface Chemistry, Education Ministry, Shandong University, Jinan 250100, P.R. China
Wencai Zhu
Department of Chemistry, Advance Material Institute of Research, Qilu Normal University, Jinan 250013, P.R. China
Hongfan Ma
Department of Materials, Shandong Jianzhu University, Jinan 250101, P.R. China

Corresponding Author(s) : Guangzeng Liu

gzliusd@gmail.com

Asian Journal of Chemistry, Vol. 25 No. 4 (2013): Vol 25 Issue 4

Abstract

A theoretical method named as quantitative structure and property relationship (QSPR) was used to investigate corrosion inhibition efficiency of benzimidazole and its derivatives on mild steel in 1 M hydrochloric acid. Some electronic, spatial and thermodynamic properties were selected as descriptors to build relationships between inhibition efficiency and micro-structure information. These descriptors include frontier molecular orbits (LUMO and HOMO), molecular surface area and molecular volume, molecular flexibility, etc. The relationships between descriptors and inhibition efficiency were described by several equations, respectively. Furthermore, an overall equation was built up to describe accurately the relationship between inhibition efficiency and most of the descriptors. These equations were proven to be successful in explaining the corrosion inhibition mechanism of benzimidazole and its derivatives.

Keywords

Benzimidazole Inhibition mechanism Inhibition efficiency Quantitative structure and property relationship
Liu, G., Zhu, W., & Ma, H. (2012). Corrosion Inhibition Mechanism of Benzimidazole and Its Derivatives on Mild Steel: Quantitative Structure and Property Relationship Study. Asian Journal of Chemistry, 25(4), 1871–1874. https://doi.org/10.14233/ajchem.2013.13197
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