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Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids

The inhibition effect of N,N′-phosphonomethylglycine (PMG) and vinyl phosphonic acid (VPA) on the 3% NaCl acidic solution corrosion of carbon steel iron was studied at different immersion times by potentiodynamic polarization, electrochemical impedance spectroscopy, attenuated total reflectance Four...

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Autores principales: Visa, Aurelia, Plesu, Nicoleta, Maranescu, Bianca, Ilia, Gheorghe, Borota, Ana, Crisan, Luminita
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795472/
https://www.ncbi.nlm.nih.gov/pubmed/33396808
http://dx.doi.org/10.3390/molecules26010135
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author Visa, Aurelia
Plesu, Nicoleta
Maranescu, Bianca
Ilia, Gheorghe
Borota, Ana
Crisan, Luminita
author_facet Visa, Aurelia
Plesu, Nicoleta
Maranescu, Bianca
Ilia, Gheorghe
Borota, Ana
Crisan, Luminita
author_sort Visa, Aurelia
collection PubMed
description The inhibition effect of N,N′-phosphonomethylglycine (PMG) and vinyl phosphonic acid (VPA) on the 3% NaCl acidic solution corrosion of carbon steel iron was studied at different immersion times by potentiodynamic polarization, electrochemical impedance spectroscopy, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, and computational methods. It is found from the polarization studies that PMG and VPA behave as mixed-type inhibitors in NaCl. Values of charge transfer resistance (R(ct)) and double layer capacitance (C(dl)) in the absence and presence of inhibitors are determined. The PMG and VPA inhibitors were capable of inhibiting the corrosion process up to ≈91% and ≈85%, respectively. In the presence of PMG, the synergic effect of chlorine ions was observed. Density functional theory (DFT) was engaged to establish the adsorption site of PMG, VPA, and their deprotonated states. For studied compounds, the resulted values of E(LUMO), E(HOMO), energy gap (∆E), dipole moment (μ), electronic hardness (η), global softness (σ), electrophilic index (ω), and the electronic potential map are in concordance with the experimental data results regarding their corrosion inhibition behavior and adsorption on the metal surface.
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spelling pubmed-77954722021-01-10 Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids Visa, Aurelia Plesu, Nicoleta Maranescu, Bianca Ilia, Gheorghe Borota, Ana Crisan, Luminita Molecules Article The inhibition effect of N,N′-phosphonomethylglycine (PMG) and vinyl phosphonic acid (VPA) on the 3% NaCl acidic solution corrosion of carbon steel iron was studied at different immersion times by potentiodynamic polarization, electrochemical impedance spectroscopy, attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy, and computational methods. It is found from the polarization studies that PMG and VPA behave as mixed-type inhibitors in NaCl. Values of charge transfer resistance (R(ct)) and double layer capacitance (C(dl)) in the absence and presence of inhibitors are determined. The PMG and VPA inhibitors were capable of inhibiting the corrosion process up to ≈91% and ≈85%, respectively. In the presence of PMG, the synergic effect of chlorine ions was observed. Density functional theory (DFT) was engaged to establish the adsorption site of PMG, VPA, and their deprotonated states. For studied compounds, the resulted values of E(LUMO), E(HOMO), energy gap (∆E), dipole moment (μ), electronic hardness (η), global softness (σ), electrophilic index (ω), and the electronic potential map are in concordance with the experimental data results regarding their corrosion inhibition behavior and adsorption on the metal surface. MDPI 2020-12-30 /pmc/articles/PMC7795472/ /pubmed/33396808 http://dx.doi.org/10.3390/molecules26010135 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Visa, Aurelia
Plesu, Nicoleta
Maranescu, Bianca
Ilia, Gheorghe
Borota, Ana
Crisan, Luminita
Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids
title Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids
title_full Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids
title_fullStr Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids
title_full_unstemmed Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids
title_short Combined Experimental and Theoretical Insights into the Corrosion Inhibition Activity on Carbon Steel Iron of Phosphonic Acids
title_sort combined experimental and theoretical insights into the corrosion inhibition activity on carbon steel iron of phosphonic acids
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7795472/
https://www.ncbi.nlm.nih.gov/pubmed/33396808
http://dx.doi.org/10.3390/molecules26010135
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