Title :

Insights into the inhibition mechanism of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole for carbon steel corrosion in hydrochloric acid pickling via experimental and computational approaches

Author(s) :

Nadi, I. [Auteur]
Université Chouaib Doukkali [UCD]
Bouanis, M. [Auteur]
Université Chouaib Doukkali [UCD]
Benhiba, F. [Auteur]
Université Ibn Tofaïl [UIT]
Université Mohammed V de Rabat [Agdal] [UM5]
Nohair, K. [Auteur]
Université Chouaib Doukkali [UCD]
Nyassi, A. [Auteur]
Université Chouaib Doukkali [UCD]
Zarrouk, A. [Auteur]
Université Mohammed V de Rabat [Agdal] [UM5]
Jama, charafeddine [Auteur]
Unité Matériaux et Transformations (UMET) - UMR 8207
Bentiss, F. [Auteur]
Université Chouaib Doukkali [UCD]
Unité Matériaux et Transformations - UMR 8207 [UMET]

Journal title :

Journal of Molecular Liquids

Pages :

116958

Publisher :

Elsevier BV

Publication date :

2021-07-14

ISSN :

0167-7322

English keyword(s) :

4-POX inhibitor
Carbon steel
HCl medium
Electrochemical measurements
SEM/XPS
DFT/MD

HAL domain(s) :

Chimie/Polymères
Chimie/Matériaux

English abstract : [en]

The addition of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (4-POX) as organic corrosion inhibitor of carbon steel (CS) in 1 M HCl solution was assessed exploiting weight loss and electrochemical measurements as well as surface ...
Show more >The addition of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole (4-POX) as organic corrosion inhibitor of carbon steel (CS) in 1 M HCl solution was assessed exploiting weight loss and electrochemical measurements as well as surface analyses. The gravimetric results showed that the 4-POX presents excellent anticorrosive properties on CS substrate, and its inhibition performance, ƞ(%), augmented with the 4-POX concentration to reach a maximum value of 93.6% at 1 mM afterwards 6 h embedding in 1 M HCl at 303 K. The AC impedance findings revealed that the addition of 4-POX to the corrosive medium leads to a decrease of the charge capacitance resulting in a systematic improve of the interface charge/discharge function and forms an adsorbed layer over the metal surface. Furthermore, SEM, water contact angle and XPS methods supported the development of a protective film over CS substrate surface afterwards addition of 4-POX. DFT calculations and MD simulations of 2,5-bis(n-pyridyl)-1,3,4 oxadiazole (n = 2, 3 and 4) derivatives were exploited to get better insight, about structural and electronic effects in relation to the anticorrosion properties and to envisage the interactions of the investigated inhibitors with metal surface atoms along with corrosive species. The cytotoxicity of 4-POX was also determined using the cell culture system.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
INRA
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Ingénierie des Systèmes Polymères

Submission date :

2021-09-17T12:04:11Z
2021-09-21T10:15:48Z