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

초록

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.

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