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article · Polymers

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

2023104 citationsOpen accessIbn Tofail University

In plain language

Researchers tested a tetrafunctional epoxy resin, specifically 2,3,4,5-tetraglycidyloxy pentanal, as a corrosion inhibitor for mild steel exposed to a 0.5 M sulphuric acid solution. The investigation combined experimental electrochemical and surface techniques with theoretical computational modelling. Electrochemical impedance spectroscopy and potentiodynamic polarisation tests showed that the resin achieved corrosion inhibition efficiencies of 85.5% and 88.6% at an optimum concentration of 10^-3 M. Polarisation data demonstrated that the compound behaves primarily as an anodic-type inhibitor. Surface examinations using electron microscopy and energy-dispersive X-ray spectroscopy confirmed that the resin forms a protective film across the steel surface, preventing attack from aggressive sulphur ions. Additionally, density functional theory and molecular simulations clarified the molecular geometry, active reactive centres, and adsorption behaviour that underpin its protective performance in acidic conditions.

Key takeaways

  • A tetrafunctional epoxy resin demonstrated corrosion inhibition efficiencies of up to 88.6% for mild steel in sulphuric acid at an optimum concentration of 10^-3 M.
  • Potentiodynamic polarisation measurements indicated that the tested resin functions as an anodic-type corrosion inhibitor.
  • Microscopic and elemental surface analyses verified that the resin forms a protective layer on the mild steel surface to prevent sulphur ion attack.
  • Computational simulations and density functional theory calculations identified the molecular geometry and active centres responsible for the inhibitory performance.

Why it matters

Acidic environments rapidly degrade mild steel, causing costly structural damage and industrial equipment failure. Identifying organic compounds that form durable barrier layers helps preserve steel components during industrial processes involving sulphuric acid. Demonstrating that this specific epoxy resin reduces corrosion rates by over 85% provides valuable insight into designing more effective chemical coatings and treatment agents for harsh acid settings.

Commercialisation angle

This work demonstrates early-stage laboratory research into chemical corrosion inhibitors for industrial mild steel handling sulphuric acid solutions. Potential end users include chemical manufacturers, processing plant operators, and industrial maintenance providers. Because the research remains at the stage of laboratory coupon testing and computational modelling, significant applied development, formulation stability testing, and scaling trials would be required before practical commercial deployment.

AI-generated from the published abstract. Always read the original work before citing.

Abstract

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.

Research topics

  • Corrosion Behavior and Inhibition
  • Concrete Corrosion and Durability
  • Hydrogen embrittlement and corrosion behaviors in metals

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DOI: 10.3390/polym15081967

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