Journal
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
Volume 51, Issue -, Pages 193-200Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jtice.2015.01.014
Keywords
Mild steel; Corrosion; Computer modeling; Electrochemical techniques
Categories
Funding
- National Major Science and Technology Program for Water Pollution Control and Treatment [2013ZX07210-001]
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The inhibition performance of a newly synthesized benzimidazole derivative, 1-Butyl-2-(4-methylphenyl)benzimidazole (BMPB), on the surface of mild steel in 1.0 M HCl was predicted theoretically using molecular dynamics method and quantum chemical calculations in comparison with benzimidazole (BI) compound. The theoretical results confirmed by electrochemical measurements and scanning electron microscopy study show that BMPB may exhibit better inhibitive performance than BI for mild steel in hydrochloric acid solution. The adsorption process and thermodynamic parameters of BMPB were calculated and discussed. It was found that BMPB is classified as a mixed type inhibitor, suppressing both anodic metal dissolution and cathodic hydrogen evolution reactions. The high inhibitory efficiency of BMPB is due to the formation of a protective film on the mild steel surface. This study shows that theoretical calculations can be used as a reliable method to select organic inhibitors prior to experiments. (C) 2015 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
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