Difference in the inhibitive effect of some Schiff base compounds containing oxygen, nitrogen and sulfur donors

Leçe, Halime Derya; Emregül, Kaan C.; Atakol, Orhan

doi:10.1016/j.corsci.2008.01.014

Cited by 162 publications

(54 citation statements)

References 22 publications

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“…These calculations were performed to investigate the structural parameters that affect the inhibition efficiency of the two pyrimidine derivatives and also to study the adsorption mechanisms on the austenitic stainless steel surface. From the optimized geometries of BCPTI and BTPTT, their global molecular descriptors [31][32][33][34][35][36][37][38][39][40][41][42][43][44] such as the energy of the highest occupied molecular orbital (E HOMO ), the energy of the lowest unoccupied molecular orbital (E LUMO ), the energy gap (DE), the ionization potential (IP), the electron affinity (EA), the global hardness (g), the electronegativity (v), the global softness (r), the electrophilicity (x), the electrodonating (x -), the electroaccepting (x ? ), the net electrophilicity (Dx ± ), the fraction of electron transferred (DN), the total negative charge (TNC) and the dipole moment (l) were calculated.…”

Section: Methodsmentioning

confidence: 99%

Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds

Shojaie

Mirzai-Baghini²

2015

Int J Ind Chem

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Quantum chemical calculations based on density functional theory method were performed on two pyrimidine derivatives which may be used as corrosion inhibitors for austenitic stainless steel. The quantum chemical properties of the two pyrimidine derivatives that are most relevant to their potential action as corrosion inhibitors have been calculated. To explain the inhibition performance of the pyrimidine derivatives, their local reactivities were analyzed through Fukui functions. The binding energies of the inhibitors with the surface of austenitic stainless steels were studied. A model has been suggested to calculate the approximate inhibition efficiencies of the pyrimidine derivatives. All calculations were carried out in both gas and liquid phases.

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Section: Methodsmentioning

confidence: 99%

Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds

Shojaie

Mirzai-Baghini²

2015

Int J Ind Chem

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“…The experimental data was found to fit well with the Langmuir adsorption isotherm among the various adsorption isotherms. The Langmuir adsorption isotherm related the surface coverage (θ) and the concentration of inhibitor (Cinh) as follows [36]:…”

Section: Adsorption Isothermmentioning

confidence: 99%

sym-Trisubstituted 1,3,5-Triazine Derivatives as Promising Organic Corrosion Inhibitors for Steel in Acidic Solution

et al. 2016

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Abstract:Triazine derivatives, namely, 2,4,6-tris(quinolin-8-yloxy)-1,3,5-triazine (T3Q), N 2 ,N 4 ,N 6 -tris(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (T3AMPy) and 2,2 1 ,2 11 -[(1,3,5-triazine-2,4,6-triyl)tris(azanediyl)] tris(ethan-1-ol) (T3EA) were synthesized and their inhibition of steel corrosion in hydrochloric acid solution was investigated using electrochemical techniques. The corrosion protection of the prepared compounds increased with increasing concentration and reached up to 98% at 250 ppm. The adsorption of T3Q, T3AMPy, and T3EA on the steel surface was in accordance with the Langmuir adsorption isotherm. The electrochemical results revealed that T3Q, T3AMPy and T3EA act as excellent organic inhibitors and can labeled as mixed type inhibitors. The efficiencies of the tested compounds were affected by the nature of the side chain present in the triazine ring, where T3EA gave the least inhibition while T3Q and T3AMPy gave higher and almost the same inhibition effects. The inhibition efficiencies obtained from the different electrochemical techniques were in good agreement.

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“…which may also be used as inhibitors. On the other hand, the latter are very dangerous with negative effects towards environmental pollution and are known to be not 'eco-friendly' 10 . The development of new inhibitors from natural sources is both important and desirable.…”

Section: Introductionmentioning

confidence: 99%

A Study into the Corrosion Inhibition of Carbon Steel in Acidic Medium Using Eco-Friendly Compounds

2017

Irq. Nat. J. Chem.

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The corrosion inhibition effects of cefixima and aminobenzylpenicillin drug inhibitors in 0.05M deaerated sulfuric acid solution for carbon steel have been studied by using electrochemical techniques and quantum chemical calculations as well as scanning electron microscope (SEM). It is observed from the experimental findings that both compounds perform as good inhibitors and behave according to mixed type inhibitor in terms of their inhibitory action. Additionally, it was found the percentage of corrosion inhibition become maximal when the concentrations of the cefixima and aminobenzylpenicillin inhibitors are increased. The influence of temperature on the corrosion of carbon steel has been investigated and the activation energy values estimated. The corrosion efficiency decreases with increasing the temperature range. The parameters of thermodynamic have been determined and indicate that the adsorption mechanism follows the Langmuir isotherm model and forms a protective layer on carbon steel surface electrode, which was characterized by scanning electron microscope measurements, to prevent a corrosion process. Quantum chemical calculations have been performed to provide evidence for corrosion inhibition according to the chemical structures of the cefixima and aminobenzylpenicillin drug inhibitors.

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Difference in the inhibitive effect of some Schiff base compounds containing oxygen, nitrogen and sulfur donors

Cited by 162 publications

References 22 publications

Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds

Molecular dynamics and density functional theory study on the corrosion inhibition of austenitic stainless steel in hydrochloric acid by two pyrimidine compounds

sym-Trisubstituted 1,3,5-Triazine Derivatives as Promising Organic Corrosion Inhibitors for Steel in Acidic Solution

A Study into the Corrosion Inhibition of Carbon Steel in Acidic Medium Using Eco-Friendly Compounds

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