2-Mercapto-1-methylimidazole as corrosion inhibitor for copper in hydrochloric acid

Larabi, L.; Benali, O.; Mekelleche, Sidi Mohamed; Harek, Yahia

doi:10.1016/j.apsusc.2006.02.013

Cited by 176 publications

(82 citation statements)

References 49 publications

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“…Recently, density functional theory (DFT) has been used to analyze the characteristics of the inhibitor/surface mechanism and to describe the structural nature of the inhibitor in the corrosion process [31,[56][57][58][59][60][61][62][63][64][65][66][67][68]. Furthermore, DFT is considered a very useful technique to probe the inhibitor/surface interaction as well as to analyze the experimental data.…”

Section: Calculation Methodsmentioning

confidence: 99%

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

149

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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.

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Section: Calculation Methodsmentioning

confidence: 99%

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

149

View full text Add to dashboard Cite

show abstract

“…When both of these features combine, enhanced inhibition can be observed. Several amines [3][4][5], aminothiols [6][7][8], thio-compounds [9][10][11][12], triazole [13][14][15][16], tetrazole [17][18][19], imidazole [20][21][22], thiazoles [23][24], phosphonate [25] and surfactants [26,27] exhibit good inhibitory effect in hydrochloric acid. Notwithstanding several structural similarities with some of the above mentioned compounds, the derivatives of benzothiazine have not been studied, in our knowledge, as steel corrosion inhibitors.…”

Section: Introductionmentioning

confidence: 99%

New Mechanism Synthesis of 1,4-Benzothiazine and its Inhibition Performance on Mild Steel in Hydrochloric Acid

Aloui¹,

Forsal²,

Sfaira³

et al. 2009

Port. Electrochim. Acta

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Abstract1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethanone (1,4-BT) was synthesised via a new mechanism. 1,4-BT was thereafter tested as corrosion inhibitor of mild steel in hydrochloric solution at 293 K by weight loss measurements and electrochemical techniques (potentiodynamic polarisation, polarisation resistance, impedance spectroscopy (EIS)). Inhibiting efficiency (E%) increased with concentration and reached highest values up to 98% even at low concentration with changing the mechanism of the corrosion process. Results obtained showed that the inhibitor studied was an efficient inhibitor, especially in cathodic domain. The temperature effect on the corrosion behaviour of mild steel in 1 M HCl with and without 1,4-BT at 5 10 -3 M was studied in the temperature range from 293 to 333 K. E% remains the same even at high temperature. The adsorption free energy and activation parameters for the mild steel dissolution reaction, in the presence of 1,4-BT, were determined. 1,4-BT is adsorbed on the mild steel surface according to a Langmuir isotherm adsorption model.

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“…So the mechanism of inhibition of the galvanized iron in 3.5% NaCl and 16 ppm Na 2 S by the phytochemical compounds of satirn explained basically on the adsorption on the metal surface [24] due to the presence of the phytochemical constituents. The adsorption of the inhibitor molecules on the metal surface is due to the donor -acceptor interaction between π electrons of donor atoms O and aromatic rings of inhibitor and the acceptor, i.e., vacant d orbital of iron surface atoms [25].…”

Section: Mechanism Of Corrosion Inhibitionmentioning

confidence: 99%

Satirn as pesticide inhibitor for the corrosion of the galvanized iron in wastewater and its biological effect on Escherichia coli

Fouda¹,

El-Khateeb²,

Fakih³

et al. 2015

Zas Mat

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2-Mercapto-1-methylimidazole as corrosion inhibitor for copper in hydrochloric acid

Cited by 176 publications

References 49 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

New Mechanism Synthesis of 1,4-Benzothiazine and its Inhibition Performance on Mild Steel in Hydrochloric Acid

Satirn as pesticide inhibitor for the corrosion of the galvanized iron in wastewater and its biological effect on Escherichia coli

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