Adsorption and Corrosion Inhibition Performance of New Triazole Derivative for Mild Steel in HCl Solution: Experimental and Computational Investigations

Y. El Ouadia, M. Lamsayahb, H. Bendaifc, F. Benhibad, e, R. Touzanib, I. Waradf, and A. Zarrouke, *

a Laboratory of Applied Analytical Chemistry, Materials and Environment, Faculty of Sciences, Mohammed I University, BP 717, Oujda, 60000 Morocco

b Laboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed I University, BP524, Oujda, 60000 Morocco

c Laboratory of Organic Chemistry, Macromolecular and Natural Products, Faculty of Sciences, Mohammed I University, BP 524, Oujda, 60000 Morocco

d Laboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, P.O. Box. 133, Kenitra, 14000 Morocco

e Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University in Rabat, BP 8007, Rabat, 10000 Morocco

f Department of Chemistry, An-Najah National University, P.O. Box 7, Nablus, Palestine

Correspondence to: *e-mail: azarrouk@gmail.com

Received 5 April, 2021

Abstract—To find out the mechanism of the action and the inhibitory capacity of the 11-(bis((1H-1,2,4-triazole-1-yl)methyl)amino)dodecanoic acid (Lig). against mild steel corrosion in 1 M HCl, gravimetric (weight loss), electrochemical measurements (potentiodynamic (PDP) and electro-chemical impedance spectroscopy(EIS)) and computational methods were adopted in the study. Intermolecular interactions and dynamics were investigated using the density functional theory and molecular dynamics. It is clear that the tested Lig ligand is a very good inhibitor with an efficiency of 96.1% at 10–3 M. When the concentration of the inhibitor varied from 10–6 to 10–3 M, the inhibitory efficiency increased significantly, with increasing the polarization resistance and decreasing the corrosion current intensity. Potentiodynamic polarization studies have demonstrated that the triazole-based ligand is a mixed inhibitor, but predominantly anodic. The studied Lig was adsorbed on the surface of mild steel according to the Langmuir isotherm model. Several thermodynamic parameters were calculated and discussed. The theoretical results are correlating with those experimentally obtained.

Keywords: long chain triazole-based ligand, mild steel corrosion, 1 M HCl, electrochemical techniques, theoretical study

DOI: 10.3103/S1068375522050040