2022
DOI: 10.1016/j.matchemphys.2022.126666
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Electrochemical and computational investigation of adsorption and corrosion inhibition behaviour of 2-aminobenzohydrazide derivatives at mild steel surface in 15% HCl

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Cited by 31 publications
(11 citation statements)
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“…The elements of quantum chemistry such as E HOMO and E LUMO , useful to elucidate the chemical descriptors of the Fe-(PPD) complex, were determined. In addition, the energy gap (∆ E g ), which determines the reactivity of the whole complex formed, was calculated as ∆ E g = E HOMO − E LUMO [ 30 , 31 ]. The relationship between the experimental findings and the quantum chemical descriptors for the neutral form and the complexes in different active centers are discussed in this work.…”
Section: Methodsmentioning
confidence: 99%
“…The elements of quantum chemistry such as E HOMO and E LUMO , useful to elucidate the chemical descriptors of the Fe-(PPD) complex, were determined. In addition, the energy gap (∆ E g ), which determines the reactivity of the whole complex formed, was calculated as ∆ E g = E HOMO − E LUMO [ 30 , 31 ]. The relationship between the experimental findings and the quantum chemical descriptors for the neutral form and the complexes in different active centers are discussed in this work.…”
Section: Methodsmentioning
confidence: 99%
“…, releases valuable information about the mechanism. 40 The adsorption of the inhibitor at the metal/solution interface is governed by several factors, such as the type of metal and its surface, the inhibitor structure, the charge distribution, etc. A few adsorption isotherms were investigated for the current study.…”
Section: Resultsmentioning
confidence: 99%
“…HCl is computed by the following expression (24) , The inhibition efficiency (IE, %) from potentiodynamic polarization was calculated using the following equation:…”
Section: Consists Of Corrosion Parameters Viz Corrosion Potential (Ec...mentioning
confidence: 99%
“…The Gibbs-Helmholtz equation measures the enthalpy of adsorption (∆H 0 ads ) as follows (24) . ( △G/T △T…”
Section: Adsorption Isothermmentioning
confidence: 99%