Electrochemical and theoretical investigation on the corrosion of aluminium in acidic solution containing some Schiff bases

Yurt, A.; Ulutaş, Şemsettin; Dal, Hakan

doi:10.1016/j.apsusc.2006.01.026

Cited by 373 publications

(168 citation statements)

References 26 publications

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“…9), it points straight to physical adsorption mechanism. The negative sign of the E HOMO obtained in this study can be concluded that the adsorption of the compounds on the mild steel surface is not by chemical adsorption but by physical adsorption mechanism [23]. The values of free energy of adsorption, activation energy, heat of adsorption, and the relationship between %IE and calculated quantum chemical parameters suggests strongly that the compounds are adsorbed on the mild steel surface by physical adsorption mechanism.…”

Section: Adsorption Considerationsmentioning

confidence: 73%

“…Same observation was reported by Khalil [13]. In fact in most cases and as obtained in this study, although dependent on certain physicochemical factors such as solubility, etc., the adsorption power (%IE of the inhibitor) increases with lower dipole moments, decreasing molecular size and with increasing nitrogen charge [23]. Table X shows among other parameters the calculated fraction of electrons transferred, DN for all the sulfonamides studied.…”

Section: Resultsmentioning

confidence: 99%

“…Theoretical chemistry has been used recently to explain the mechanism of corrosion inhibition, such as quantum chemical calculations, which have been proved to be a very powerful tool for studying the mechanism [20][21][22][23][24][25][26][27][28][29]. The reactive ability of the inhibitor is closely linked to their frontier molecular orbitals (MO), including highest occupied molecular orbital, HOMO, and lowest unoccupied molecular orbital, LUMO, and the other parameters such as hardness and softness.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

Ebenso

Arslan

Kandemi̇rlı

et al. 2010

Int J of Quantum Chemistry

148

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Density functional theory (DFT) at the B3LYP/6-31G (d,p) and BP86/ CEP-31G* basis set levels and ab initio calculations using the RHF/6-31G (d,p) methods were performed on four sulfonamides (namely sulfaacetamide (SAM), sulfapyridine (SPY), sulfamerazine (SMR), and sulfathiazole (STI)) used as corrosion inhibitors for mild steel in acidic medium to determine the relationship between molecular structure and their inhibition efficiencies (%IE). The order of inhibition efficiency obtained was SMR > SPY > STI > SAM which corresponded with the order of most of the calculated quantum chemical parameters namely E HOMO (highest occupied molecular orbital energy), E LUMO (lowest unoccupied molecular orbital energy), the energy gap (DE), the Mulliken charges on the C, O, N, S atoms, hardness (g), softness (S), polarizability (a), dipole moment (l), total energy change (DE T ), electrophilicity (x), electron affinity (A), ionization potential (I), the absolute electronegativity (v), and the fraction of electrons transferred (DN). Quantitative structure activity relationship (QSAR) approach has been used and a correlation of the composite index of some of the quantum chemical parameters was performed to characterize the inhibition performance of the sulfonamides studied. The results showed that the %IE of the sulfonamides was closely related to some of the quantum chemical parameters but with varying degrees/order. The calculated %IE of the sulfonamides studied was found to be close to their experimental corrosion inhibition efficiencies. The experimental data obtained fits the Langmuir adsorption isotherm. The negative sign of the E HOMO values and other thermodynamic parameters obtained indicates that the data obtained supports physical adsorption mechanism.

show abstract

Section: Adsorption Considerationsmentioning

confidence: 73%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

Ebenso

Arslan

Kandemi̇rlı

et al. 2010

Int J of Quantum Chemistry

148

View full text Add to dashboard Cite

show abstract

“…The free energy of adsorption of (∆G ads ), in 1 M HCl was found to be -6.548 kJmol −1 while for 2 M HCl it was found to be -5.290 kJmol −1 , respectively. It is well known that the values of ∆G ads in the order of −20 kJ mol -1 or lower indicate a physisorption while those about -40 kJ mol −1 or higher involve charge sharing or transfer from the inhibitor molecules to the metal surface to form a co-ordinate type of bond 22 .…”

Section: Adsorption Isothermmentioning

confidence: 99%

Effect Formazan of Benzaldehyde as Corrosion Inhibitor on Preventing the Mild Steel Corrosion in Acidic Medium

2013

Chem Sci Trans

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Abstract:The effect of formazan of benzaldehyde (FB) on the corrosion of mild steel in acidic media (1 M HCl and 2 M HCl) has been investigated using weight loss measurements, electrochemical studies and surface analysis. These studies have also shown that formazan of benzaldehyde is a good inhibitor for mild steel in 1 M HCl and 2 M HCl acid solutions at room temperature in 2 h. In 1 M HCl the inhibition efficiency was high when compared to 2 M HCl acid solutions. The surface analysis also confirms the corrosion inhibition of the mild steel by the inhibitor (FB).

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“…The thin, adherent and compact oxide film formed on aluminum surface can protect the metal in various environments [2][3][4][5]. But the oxide film is amphiprotic and the metal dissolves readily in acidic or basic solutions [6].…”

Section: Introductionmentioning

confidence: 99%

Corrosion Inhibition of Triazinedithoil for Aluminum Alloy in Hydrochloric Acid Solution

Wang

2014

J Material Sci Eng

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Electrochemical and theoretical investigation on the corrosion of aluminium in acidic solution containing some Schiff bases

Cited by 373 publications

References 26 publications

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

Effect Formazan of Benzaldehyde as Corrosion Inhibitor on Preventing the Mild Steel Corrosion in Acidic Medium

Corrosion Inhibition of Triazinedithoil for Aluminum Alloy in Hydrochloric Acid Solution

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