Assessment of the inhibitive behavior of a triazole based Schiff base compound in acidic media; an experimental and theoretical approach

• Published in: Journal of molecular structure 2021-03, Vol.1227, p.129700, Article 129700
• Main Authors: Kaleli, N. Mete, Eroğlu, Fatma, Şahin, Mesutcan, Kalkan, Melike, Emregül, Kaan C.
• Format: Article
• Language: English
• Subjects: Acid inhibition; Corrosion inhibitor; Density functional theory; Mild steel; Schiff base
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2020.129700

•Inhibition behavior was evaluated using electrochemical and theoretical techniques.•SAMT is a mixed-type inhibitor affecting both anodic and cathodic sites.•SAMT behaves as an efficient inhibitor for the acidic corrosion of mild steel.•Electronic parameters showed a good correlation with corrosion inhibition efficiency. The corrosion inhibition of mild steel was investigated in the absence and presence of different concentrations of 2-((5-mercapto-1H-1,2,4-triazole-3-ylimino) methyl) phenol (SAMT) in 2 M HCl at a constant temperature of 303 K. Potentiodynamic polarization, weight loss, and electrochemical impedance spectroscopy (EIS) measurements were applied for experimental evaluation. Adsorption obeyed the Langmuir adsorption isotherm with a mixed physisorption and chemisorption mechanism. Various quantum chemical descriptors like EHOMO, ELUMO, ΔE, chemical hardness were calculated and discussed. Results revealed an apparent consistency between the corrosion inhibition efficiency and quantum chemical parameters.