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A Combined Experimental and Computational (DFT, RDF, MC and MD) Investigation of Epoxy Resin as a Potential Corrosion Inhibitor for Mild Steel in a 0.5 M H2SO4 Environment

Rachid HsissouLaboratory of Organic Chemistry, Bioorganic and Environment, Chemistry Department, Faculty of Sciences, Chouaib Doukkali University, BP 20, El Jadida 24000, MoroccoKhadija DahmaniLaboratory of Organic Chemistry, Catalysis and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra 14000, MoroccoAnouar El MagriEuromed Polytechnic School, Euromed Research Center, Euromed University of Fes, Fès 30000, MoroccoAbdelfettah HmadaLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra 14000, MoroccoZaki SafiChemistry Department, Faculty of Science, Al Azhar University-Gaza, Gaza BP 1277, PalestineNadia DkhirecheLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra 14000, MoroccoM. GalaiLaboratory of Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofail University, BP 242, Kenitra 14000, MoroccoNuha WazzanChemistry Department, Faculty of Science, King Abdulaziz University, BP 42805, Jeddah 21589, Saudi ArabiaАвни БеришаDepartment of Chemistry, Faculty of Natural and Mathematics Science, University of Prishtina, 10000 Prishtina, Kosovo

2023en

ABI

Annotatsiya

In this work, a tetrafunctional epoxy resin entitled 2,3,4,5-tetraglycidyloxy pentanal (TGP) was tested and investigated as a potential corrosion inhibitor for mild steel (MS) in 0.5 M H2SO4 solution. The corrosion inhibition process for mild steel was employed alongside various techniques, such as potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), temperature effect (TE), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS) and theoretical approaches (DFT, MC, RDF and MD). Further, the corrosion efficacies obtained at the optimum concentration (10−3 M of the TGP) were 85.5% (EIS) and 88.6% (PDP), respectively. The PDP results indicated that the TGP tetrafunctional epoxy resin acted the same as an anodic inhibitor type in 0.5 M H2SO4 solution. SEM and EDS analyses found that the protective layer formed on the MS electrode surface in the presence of TGP could prevent the attack of the sulfur ions. The DFT calculation provided more information regarding the reactivity, geometric properties and the active centers of the corrosion inhibitory efficiency of the tested epoxy resin. RDF, MC and MD simulations showed that the investigated inhibitory resin have a maximum inhibition efficiency in 0.5 M H2SO4 solution.

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Identifikatorlar

DOI: 10.3390/polym15081967

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