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AuthorSalim, R.
AuthorNahlé, A.
AuthorEl-Hajjaji, F.
AuthorEch-chihbi, E.
AuthorBenhiba, F.
AuthorEl Kalai, F.
AuthorBenchat, N.
AuthorOudda, H.
AuthorGuenbour, A.
AuthorTaleb, M.
AuthorWarad, I.
AuthorZarrouk, A.
Available date2024-07-21T06:24:21Z
Publication Date2021
Publication NameSurface Engineering and Applied Electrochemistry
ResourceScopus
Identifierhttp://dx.doi.org/10.3103/S1068375521020083
ISSN10683755
URIhttp://hdl.handle.net/10576/56854
AbstractTwo imidazopyridine derivatives 6-chloro-2-(4-chlorophenyl) imidazo [1,2-a]pyridine (IPCl1) and 6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbal-dehyde (IPCl2) were investigated as corrosion inhibitors of mild steel in 1.0M HCl medium using potentiodynamic polarization curves and electrochemical impedance spectroscopy. The concentrations used in this work ranged between 1.0 × 10–6 and 1.0 × 10–3 M. Those compounds were found to be good inhibitors. In addition, their adsorption on the mild steel surface obeyed the Langmuir adsorption isotherm. A quantum chemical calculation was computed using Gaussian 09 based on the density-functional theory method at B3LYP/6-31G (d, p) in order to relate some electronic properties of the studied compounds to the inhibition efficiencies achieved experimentally. The Fukui functions were calculated to estimate the most reactive sites of nucleophilic and electrophilic attacks. Finally, the molecular dynamics simulation was implemented to search for the equilibrium configurations of IPCl1 and IPCl2/Fe(110) adsorption systems in a hydrochloric acid solution at various temperatures. The theoretical and experimental results obtained were in good correlation.
Languageen
PublisherPleiades journals
Subjectcorrosion inhibition
density-functional theory
electrochemical impedance spectroscopy
Fukui function
imidazopyridine
mild steel
molecular dynamics simulation
TitleExperimental, Density Functional Theory, and Dynamic Molecular Studies of Imidazopyridine Derivatives as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid
TypeArticle
Pagination233-254
Issue Number2
Volume Number57
dc.accessType Abstract Only


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