Article

Coupling of chemical, electrochemical and theoretical approach to study the corrosion inhibition of mild steel by new quinoxaline compounds in 1 M HCl

T. LaabaissiLaboratory of Separation Processes, Faculty of Science, University Ibn Tofail, PO Box 133, 14000, Kenitra, MoroccoF. BenhibaLaboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University, P.O. Box. 1014, Agdal-Rabat, MoroccoMohcine MissiouiLaboratory of Medecinal Chemistry, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat, MoroccoZ. RouifiLaboratory of Separation Processes, Faculty of Science, University Ibn Tofail, PO Box 133, 14000, Kenitra, MoroccoMohamed RbaaLaboratory of Agro-Resources, Polymers and Process Engineering, Department of Chemistry, Faculty of Science, Ibn Tofail University, PO Box 133, 14000, Kenitra, MoroccoH. OuddaLaboratory of Separation Processes, Faculty of Science, University Ibn Tofail, PO Box 133, 14000, Kenitra, MoroccoYoussef RamliLaboratory of Medecinal Chemistry, Faculty of Medicine and Pharmacy, Mohammed V University, Rabat, MoroccoA. GuenbourLaboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University, P.O. Box. 1014, Agdal-Rabat, MoroccoIsmail WaradDepartment of Chemistry and Earth Sciences, PO Box 2713, Qatar University, Doha, QatarA. ZarroukLaboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University, P.O. Box. 1014, Agdal-Rabat, Morocco

2020en

ABI

Abstract

The corrosion inhibition displays of two quinoxaline derivatives, on the corrosion of M-steel (M-steel) in 1 M HCl was studied by gravimetric, electrochemical, scanning electron microscopy (SEM), functional density theory (DFT) and molecular dynamic simulation (MD). The inhibitory efficacy increases with decreasing temperature and increases with inhibitor concentration and reached to 96 % (NSQN) and 92 % (CSQN) at 303 K and the optimum concentration (1×10-3 M). Ultraviolet-visible (UV-vis) spectroscopic analyses confirmed the presence of chemical interactions between the inhibitors and MS surface. The adsorption of NSQN & CSQN on the metallic surface obeys the Langmuir isotherm. A potentiodynamic polarization study confirmed that the inhibitors are of mixed-kind inhibitors. Theoretical computation (DFT) and molecular dynamics simulation (MD) are utilized to understand the mechanism of inhibition.

Identifiers

DOI: 10.1016/j.heliyon.2020.e03939

Citations and references

Cited by 20 references

Metrics — AkademScholar