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http://cimav.repositorioinstitucional.mx/jspui/handle/1004/1747| Experimental and Computational Simulation (DFT approach) evaluation of Nopal extract as green corrosion inhibitor for mild steel in 1M HCl | |
| JUAN PABLO FLORES DE LOS RIOS CLAUDIA GEORGINA NAVA DINO MIGUEL ANGEL NERI FLORES | |
| Acceso Abierto | |
| Sin Derechos Reservados | |
| Inhibitor | |
| 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. | |
| 2016 | |
| Memoria de congreso | |
| Inglés | |
| OTRAS | |
| Versión revisada | |
| submittedVersion - Versión revisada | |
| Aparece en las colecciones: | Artículos de Congresos |
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