Molecular insights through the experimental and theoretical study of the anticorrosion power of a new eco-friendly Cytisus multiflorus flowers extract in a 1 M sulfuric acid

• Published in: Journal of molecular liquids 2022-02, Vol.347, p.118397, Article 118397
• Main Authors: Kahlouche, Abdesalem, Ferkous, Hana, Delimi, Amel, Djellali, Souad, Yadav, Krishna Kumar, Fallatah, Ahmed M., Jeon, Byong-Hun, Ferial, Krid, Boulechfar, Chérifa, Ben Amor, Yasser, Benguerba, Yacine
• Format: Article
• Language: English
• Subjects: ATR; Carbon steel; Corrosion; Cytisus Multiflorus; DFT; EIS; Inhibitor; PDP; SEM; XPS; XRD
• ISSN: 0167-7322; 1873-3166
• DOI: 10.1016/j.molliq.2021.118397

•Cytisus multiflorus flowers extract as an anti-corrosion additive to inhibit the corrosion of XC48 carbon steel in H2SO4.•Extract can prevent the cathodic and anodic reaction of XC48 carbon steel.•The extract provides 95.91% anticorrosion efficiency at 500 ppm.•Quantum chemical calculations confirmed the inhibitor potential efficacy. The use of Cytisus Multiflorus Flowers Extract (CMFE) as a carbon steel corrosion inhibitor in 1 M H2SO4 solution was investigated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods. Potentiodynamic polarization curves indicated that CMFE behaves as a mixed-type inhibitor. Quantum chemical parameters were also calculated, which provided a reasonable theoretical explanation for the adsorption and inhibition behavior of CMFE on the carbon steel. The presence of CMFE leads to the formation of a protective film revealed by the Scanning Electron Microscope (SEM) and attenuated total reflectance (FTIR-ATR). The process of corrosion inhibition of carbon steel by CMFE in a 1 M H2SO4 was studied by X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD) analysis. The Density Functional Theory (DFT) and molecular dynamics (MD) studies are conducted to explore the connection between quantum calculations and experimental findings.