Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

Omar Dagdag; Zaki Safi; Hamid Erramli; Omar Cherkaoui; Nuha Wazzan; Lei Guo; Chandrabhan Verma; E. E. Ebenso; Ahmed El Harfi

doi:10.1039/C9RA01672D

Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies†

Omar Dagdag,

^a Zaki Safi,

^b Hamid Erramli,^c Omar Cherkaoui,^d Nuha Wazzan,^e Lei Guo,

^f Chandrabhan Verma,

*^gh E. E. Ebenso

*^gh and Ahmed El Harfi^a

Author affiliations

* Corresponding authors

^a Laboratory of Agroresources, Polymers and Process Engineering (LAPPE), Department of Chemistry, Faculty of Science, Ibn Tofail University, 14000 Kenitra, Morocco

^b Al Azhar University-Gaza, Chemistry Department, Faculty of Science, PO Box 1277, Gaza, Palestine

^c Laboratory of Materials, Electrochemistry and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University, Kenitra, Morocco

^d Higher School of Textile and Clothing Industries, Laboratory REMTEX, BP 7731, Oulfa, Casablanca, Morocco

^e King Abdulaziz University, Chemistry Department, Faculty of Science, PO Box 42805, Jeddah, Saudi Arabia

^f School of Materials and Chemical Engineering, Tongren University, Tongren, China

^g Material Science Innovation & Modelling (MaSIM) Research Focus Area, Faculty of Natural and Agricultural Sciences, North-West University, Private Bag X2046, Mmabatho 2735, South Africa
E-mail: chandraverma.rs.apc@itbhu.ac.in, Eno.Ebenso@nwu.ac.za

^h Department of Chemistry, Faculty of Natural and Agricultural Sciences, School of Chemical and Physical Sciences, North-West University, Private Bag X2046, Mmabatho 2735, South Africa

Abstract

Herein, the synthesis, characterization and corrosion inhibition effectiveness of two aromatic epoxy monomers (AEMs) namely, 2-(oxiran-2-yl-methoxy)-N,N-bis(oxiran-2-yl-methyl)aniline (AEM1) and N,N-bis(oxiran-2-ylmethyl)-2-((oxiran-2-ylmethyl) thio)aniline (AEM2), in carbon steel corrosive dissolution in 1 M HCl solution is investigated using computational and experimental techniques. AEM1 and AEM2 were characterized using FT-IR, ¹H NMR and ¹³C NMR spectroscopy techniques. Electrochemical results demonstrated that AEMs act as reasonably good corrosion inhibitors for carbon steel in 1 M HCl medium and their effectiveness followed the sequence: AEM2 (95.4%) > AEM1 (94.3%). A PDP study showed that AEMs act as mixed-type inhibitors with slight anodic predominance. Adsorption of the AEMs obeyed the Langmuir isotherm model. Interactions between AEMs and the metallic surface was further studied using DFT and MD simulations that give several computational parameters such as I, A, E_HOMO, E_LUMO, ΔE, δ, χ, ρ, σ, η, ΔN and E_ads. The experimental and computational results were in good agreement and well complimented each other.

This article is part of the themed collection: Computational chemistry

Supplementary files

Article information

DOI: https://doi.org/10.1039/C9RA01672D
Article type: Paper
Submitted: 05 Mar 2019
Accepted: 17 Apr 2019
First published: 14 May 2019
This article is Open Access

Download Citation

RSC Adv., 2019,9, 14782-14796

Permissions

Request permissions

Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

O. Dagdag, Z. Safi, H. Erramli, O. Cherkaoui, N. Wazzan, L. Guo, C. Verma, E. E. Ebenso and A. El Harfi, RSC Adv., 2019, 9, 14782 DOI: 10.1039/C9RA01672D

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

RSC Advances

Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies†

Abstract

Supplementary files

Article information

Download Citation

Permissions

Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

Social activity

Search articles by author

Spotlight

Advertisements