info:eu-repo/semantics/conferenceProceedings
Experimental and Computational Simulation (DFT approach) evaluation of Nopal extract as green corrosion inhibitor for mild steel in 1M HCl
Autor
JUAN PABLO FLORES DE LOS RIOS
CLAUDIA GEORGINA NAVA DINO
MIGUEL ANGEL NERI FLORES
Institución
Resumen
The effect of Nopal (Opuntia ficus-indica) as green corrosion inhibitor for mild steel in 1M HCl solution
have been investigated by using Weight Loss Measurements (WLM) and Electrochemical Impedance
Spectroscopy (EIS) measurement. Also, Scanning Electron Microscopy (SEM), Fourier Transform
Infrared Spectroscopy (FT-IR). The inhibitor concentrations used ranged from 0, 50, 75, 100, 150, 200
and 300ppm at 25 and 40°C. The inhibition behavior has been associated with adsorption effects for
inhibitors. In fact, the adsorption of the inhibitor on the steel surface follows the Langmuir adsorption
isotherm. Computational Simulation by using the Density Functional Theory (DFT) with Gaussian 09
program and the B3LYP/6-31G(d) in the presence the solvent IEFCPCM/water, level of theory was
further used to calculate some electronic properties of the molecule (Pectin) in order to ascertain any
correlation between the inhibitive effect and molecular structure of Nopal (Opuntia ficus-indica) extract.
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