Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L<sup>-1</sup> HCl solution

F. Benhiba; Z. Benzekri; A. Guenbour; M. Tabyaoui; A. Bellaouchou; S. Boukhris; H. Oudda; I. Warad; A. Zarrouk

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Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution

Materials and Product Engineering | Updated：2026-01-06

- Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution
- Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution
- 中国化学工程学报（英文版） 2020年28卷第5期页码：1436-1458
- Affiliations：
  
  1. Laboratory of Separation Processes, Faculty of Sciences, Ibn Tofail University, P. O. Box 133, 14000, Kenitra,Morocco
  2. Laboratory of Materials, Nanotechnology and Environment, Faculty of Sciences, Mohammed V University, Av. Ibn Battouta, P. O. Box 1014, Agdal,Rabat,Morocco
  3. Laboratory of Organic Synthesis, Organometallic and Theoretical, Faculty of Sciences, Ibn Tofail University, P. O. Box 133, 14000, Kenitra,Morocco
  4. Department of Chemistry and Earth Sciences, P. O. Box 2713, Qatar University, Doha,Qatar
- Author bio：
- Funds：
- DOI：
  中图分类号：
- 纸质出版：2020
- Accepted：
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F. Benhiba, Z. Benzekri, A. Guenbour, 等. Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution[J]. 中国化学工程学报（英文版）, 2020,28(5):1436-1458.

HCl solution[J]. 中国化学工程学报, 2020, 28(5): 1436-1458.
F. Benhiba, Z. Benzekri, A. Guenbour, 等. Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution[J]. 中国化学工程学报（英文版）, 2020,28(5):1436-1458. DOI：

HCl solution[J]. 中国化学工程学报, 2020, 28(5): 1436-1458. DOI：

摘要

Abstract

This work is devoted to the study of the inhibition of corrosion of mild steel (MS) in molar hydrochloric acid (1 mol·L

-1

HCl) by two named quinoxaline derivatives namely

2-(2

4-dichlorophenyl)-1

4-dihydroquinoxaline (

) and 2-(2

4-dichlorophenyl)-6-methyl-1

4-dihydroquinoxaline (

). The inhibitory efficacy of

and

compounds is first evaluated using the gravimetric method and using electrochemical techniques (stationary and transient techniques). The results showed that our compounds are efficient corrosion inhibitors and the inhibition rates (

EIS

%) reached up to 91% and 94.2% at 10

-3

mol·L

-1

for

and

respectively. The mentioned molecules are classified as mixed-type inhibitors. The adsorption of these inhibitors on the surface of steel in hydrochloric HCl 1 mol·L

-1

medium obeys the Langmuir adsorption isotherm. The results of the scanning electron microscope (SEM) showed the formation of a protective film on the surface of the steel in the presence of the

inhibitors studied. Elementary analysis is obtained by energy dispersive X-ray spectroscopy (EDS). The inhibition property was further elucidated by theoretical approaches such as:Density Functional Theory (

DFT

)

quantum chemical descriptors (

QCD

)

local reactive indices

solvent effect

theoretical complexation

Molecular Dynamic (

) simulation

effect of temperature on adsorption energy (

ads

)

Radial Distribution Function (

RDF

)

and Mean Square Displacement (

MSD

). The results of these approaches support the experimental results.

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Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L-1 HCl solution

Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L-1 HCl solution

DOI：

摘要

Abstract

关键词

Keywords

references

Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution

Combined electronic/atomic level computational, surface (SEM/EDS), chemical and electrochemical studies of the mild steel surface by quinoxalines derivatives anti-corrosion properties in 1 mol·L^-1 HCl solution