Issue 26, 2019

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

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, EHOMO, ELUMO, ΔE, δ, χ, ρ, σ, η, ΔN and Eads. The experimental and computational results were in good agreement and well complimented each other.

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

Supplementary files

Article information

Article type
Paper
Submitted
05 mar 2019
Accepted
17 apr 2019
First published
14 may 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 14782-14796

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

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