Titre :

Experimental, DFT studies and molecular dynamic simulation on the corrosion inhibition of carbon steel in 1 M HCl by two newly synthesized 8-hydroxyquinoline derivatives

Auteur(s) :

Fakhry, H. [Auteur]
Université Ibn Tofaïl [UIT]
El Faydy, M. [Auteur]
Université Ibn Tofaïl [UIT]
Benhiba, F. [Auteur]
Université Ibn Tofaïl [UIT]
Bouassiria, M. [Auteur]
Université Ibn Tofaïl [UIT]
Laabaissi, T. [Auteur]
Université Ibn Tofaïl [UIT]
Allali, M. [Auteur]
Touir, R. [Auteur]
Université Ibn Tofaïl [UIT]
Oudda, H. [Auteur]
Université Ibn Tofaïl [UIT]
Jama, charafeddine [Auteur]
Unité Matériaux et Transformations - UMR 8207 [UMET]
Warad, I. [Auteur]
An-Najah National University
Alsalme, A. [Auteur]
Zarrouk, A. [Auteur]
Université Mohammed V de Rabat [Agdal] [UM5]

Titre de la revue :

Journal of the Indian Chemical Society

Nom court de la revue :

Journal of the Indian Chemical Society

Pagination :

100701

Éditeur :

Elsevier BV

Date de publication :

2022-09

ISSN :

0019-4522

Mot(s)-clé(s) en anglais :

8-hydroxyquinoline derivatives
Carbon steel corrosion
EIS measurements
Density functional theory/MD simulation
SEM/EDS

Discipline(s) HAL :

Chimie/Matériaux
Chimie/Polymères

Résumé en anglais : [en]

In the present work, two new 8-hydroxyquinoline derivatives namely, 5-(((2-hydroxybenzylidene)amino)methyl) 8-hydroxyquinoline [HBMQ] and 5-(((4-chlorobenzylidene)amino)methyl) 8-hydroxyquinoline [CBMQ] were synthesized ...
Lire la suite >In the present work, two new 8-hydroxyquinoline derivatives namely, 5-(((2-hydroxybenzylidene)amino)methyl) 8-hydroxyquinoline [HBMQ] and 5-(((4-chlorobenzylidene)amino)methyl) 8-hydroxyquinoline [CBMQ] were synthesized and investigated as corrosion inhibitors against the dissolution of carbon steel (C38 steel) in 1 M HCl. These compounds were obtained with high yield, and their structures were characterized by nuclear magnetic resonance spectroscopy (NMR) and elemental analysis. Gravimetric, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and surface morphology analyses utilizing scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) were used to quantify inhibitory performance. The adsorption process of inhibitory compounds was then demonstrated using quantum mechanics approaches such as Density Functional Theory (DFT) and Molecular Dynamic Simulation (MD). Based on EIS results, the investigated derivatives effectively inhibit the degradation of C38 steel over the entire concentration range with a maximum efficiency of 91.9% and 88.0% for [CBMQ] and [HBMQ], respectively, at 10−3 M. In addition, the PDP studies revealed that [HBMQ] and [CBMQ] compounds acted according to a mixed-type mechanism. Moreover, the adsorption mechanism follows the Langmuir isotherm model. The quantum theoretical study by DFT and MD simulation confirmed the experimental results.Lire moins >

Langue :

Anglais

Audience :

Internationale

Vulgarisation :

Non

Établissement(s) :

Université de Lille
CNRS
INRAE
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Équipe(s) de recherche :

Procédés de Recyclage et de Fonctionnalisation (PReF)

Date de dépôt :

2022-09-20T16:47:47Z
2022-09-29T10:01:16Z