Experimental approaches and computational modeling to investigate the impact of tangerine peel extract on steel corrosion in an acidic environment
Year: 2025
Type: article
Abstract: This study investigates the corrosion inhibition of tangerine peel extract (TPE) as a sustainable inhibitor for carbon steel in 1 M H₂SO₄, using electrochemical techniques, surface analysis, and computational methods. Electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and weight loss measurements reveal that TPE achieves inhibition efficiencies of 83–88 % at concentrations of 200–1000 ppm, indicating exhibiting both anodic and cathodic suppression. EIS results suggest the formation of a protective layer on the steel surface, reducing corrosion rates. Fourier-transform infrared (FT-IR) spectroscopy identified key functional groups in TPE, such as organic acids, flavonoids, carbonyls, and alcohols, which contribute to its inhibition properties. Field-emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM) analyses show a 25 % reduction in surface degradation and roughness with TPE. The adsorption free energy of −16.8 kJ/mol suggests physical adsorption on the steel surface. Molecular dynamics (MD) and Monte Carlo (MC) simulations on the Fe (110) plane, along with quantum chemical calculations, indicate favorable adsorption with a HOMO-LUMO energy gap of 2.504 eV (HOMO: −5.211 eV, LUMO: −2.707 eV). These findings highlight TPE as a promising eco-friendly corrosion inhibitor, although further studies are needed to optimize its application and compare its performance with existing plant-based inhibitors.
Source: Results in Chemistry
Authors: AmirHossein Hafazeh, Hossein Tavakoli
Institution: Semnan University
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,870
OpenAlex ID: W4413903799