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

RSC Adv. 2019 May 14;9(26):14782-14796. doi: 10.1039/c9ra01672d. eCollection 2019 May 9.

Authors

Omar Dagdag¹, Zaki Safi², Hamid Erramli³, Omar Cherkaoui⁴, Nuha Wazzan⁵, Lei Guo⁶, Chandrabhan Verma^{7

8}, E E Ebenso^{7

8}, Ahmed El Harfi¹

Affiliations

¹ Laboratory of Agroresources, Polymers and Process Engineering (LAPPE), Department of Chemistry, Faculty of Science, Ibn Tofail University BP 133 14000 Kenitra Morocco.
² Al Azhar University-Gaza, Chemistry Department, Faculty of Science PO Box 1277, Gaza Palestine.
³ Laboratory of Materials, Electrochemistry and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University Kenitra Morocco.
⁴ Higher School of Textile and Clothing Industries, Laboratory REMTEX BP 7731, Oulfa Casablanca Morocco.
⁵ King Abdulaziz University, Chemistry Department, Faculty of Science PO Box 42805 Jeddah 21589 Saudi Arabia.
⁶ School of Materials and Chemical Engineering, Tongren University Tongren 554300 China.
⁷ Material Science Innovation & Modelling (MaSIM) Research Focus Area, Faculty of Natural and Agricultural Sciences, North-West University Private Bag X2046 Mmabatho 2735 South Africa chandraverma.rs.apc@itbhu.ac.in Eno.Ebenso@nwu.ac.za.
⁸ 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.