Experimental and theoretical investigations of four amine derivatives as effective corrosion inhibitors for mild steel in HCl medium
| Autor: | Yasmine Boughoues, L. Messaadia, Nafila Bouider, M. Benamira, Samia Abdelaziz |
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| Rok vydání: | 2020 |
| Předmět: |
Chemistry
General Chemical Engineering Substituent Langmuir adsorption model 02 engineering and technology General Chemistry Carbon-13 NMR 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences chemistry.chemical_compound symbols.namesake Benzonitrile Adsorption symbols Phenol Molecule Amine gas treating 0210 nano-technology Nuclear chemistry |
| Zdroj: | RSC Advances. 10:24145-24158 |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/d0ra03560b |
| Popis: | Four amine derivative compounds were synthesized: 2-[(phenylamino)methyl]phenol, 2-{[(4-hydroxyphenyl)amino]methyl}phenol, 2-[(2-hydroxybenzyl)amino]benzonitrile and 2-{[(3-chlorophenyl)amino]methyl}phenol. The structure of the organic molecules was confirmed by FT-IR, 13C NMR and 1H NMR spectroscopy analyses. Their corrosion inhibition performances on mild steel in 1 M HCl were investigated using electrochemical measurements and surface analysis. Scanning electron microscopy analysis confirms the presence on the mild steel surface of a protective film of the as-prepared organic compounds, which depends on the substituent groups. Moreover, density functional theory and molecular dynamics simulation were employed in order to determine the adsorption mechanism and the position of amine derivative molecules towards the mild steel surface in an aggressive solution and to confirm the electrochemical results. The inhibition efficiency (IE) decreases with a decrease in concentration and the adsorption obeyed the Langmuir isotherm. The substitution of the OH group on the aromatic ring by Cl or CN increases IE to 90.23 and 92.56%, respectively. Molecular dynamics simulations attested that the four molecules were adsorbed on the Fe (110) surface in a flat position in the presence of water and HCl with high interaction between the different groups of the inhibitors and mild steel surface. |
| Databáze: | OpenAIRE |
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