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Titre: Synthesis, spectroscopic characterization and a comparative study of the corrosion inhibitive efficiency of ana-aminophosphonate and Schiff base derivatives: Experimental and theoretical investigations
Auteur(s): Benbouguerra, Khalissa
Chafaa, Salah
Chafai, Nadjib
Mehri, Mouna
Moumeni, Ouahiba
Hellal, Ouahiba
Mots-clés: a-aminophosphonate
Schiff base
Corrosion inhibition
Quantum chemical calculations
Molecular dynamics simulations
Date de publication: 27-nov-2018
Collection/Numéro: Journal of Molecular Structure 1157 (2018) 165e176;
Résumé: Newa-aminophosphonate (a-APD) and Schiff base (E-NDPIMA) derivatives have been prepared and their structures ware proved by IR, UVeVis, 1 H, 13 C and 31 P NMR spectroscopy. Their inhibitive capacities on the XC48 carbon steel corrosion in 0.5 mol L 1 H2SO4solution were explored by weight loss, Tafel polarization, electrochemical impedance spectroscopy (EIS) and atomic force microscope (AFM). Experimental results illustrate that the synthesized compounds are an effectives inhibitors and the adsorption of inhibitors molecules on the carbon steel surface obeys Langmuir adsorption isotherm. In addition, quantum chemical calculations performed with density function theory (DFT) method have been used to correlate the inhibition efficiency established experimentally. Also, the molecular dynamics simulations have been utilized to simulate the interactions between the inhibitors molecules and Fe (100) surface in aqueous solution.
URI/URL: http://dspace.univ-setif.dz:8888/jspui/handle/123456789/2961
ISSN: 0022-2860
Collection(s) :Articles

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