Adsorption and inhibition effect of 6-benzylaminopurine on cold rolled steel in 1.0M HCl

Li, Xianghong; Deng, Shuduan; Fu, Hui; Li, Taohong

doi:10.1016/j.electacta.2009.02.084

Cited by 395 publications

(148 citation statements)

References 72 publications

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“…The bands at 3727 and 470 cm ¹1 which do not appear in the spectra of HMTH arise from Fe-O bending and Fe-N stretching vibration respectively. 50,51 Comparing the spectra b with a, it is obvious that HMTH is absorbed on the carbon steel surface, and O, N atoms may act as active centers for carbon steel, which is consistent with the results of theoretical calculations.…”

Section: Fourier Transform Infrared Spectroscopy (Ftir)supporting

confidence: 77%

Study of Adsorption Behavior and Inhibition Mechanism of Mild Steel in Hydrochloric Acid by a Novel Thiadiazole Derivative

Cong

et al. 2015

Electrochemistry

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N′-(4-hydroxy-3-methoxybenzylidene)-2-(5-p-tolyl-1,3,4-thiadiazol-2-ylthio) acetohydrazide (HMTH) was studied as a novel corrosion inhibitor for carbon steel in hydrochloric acid solution by potentiodynamic polarization curves, electrochemical impedance spectroscopy (EIS), chronoamperometry (CA), cyclic voltammetry (CV) techniques and Quantum chemical calculation. The surface morphology of carbon steel in HCl solution in the absence and presence of HMTH was investigated by scanning electron microscopy (SEM). The mechanism of adsorption was determined from Fourier transform infrared spectroscopy (FTIR) and the potential of zero charge (E pzc ). HMTH was found to be an effective corrosion inhibitor by forming a stable adsorption layer on carbon steel.

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Section: Fourier Transform Infrared Spectroscopy (Ftir)supporting

confidence: 77%

Study of Adsorption Behavior and Inhibition Mechanism of Mild Steel in Hydrochloric Acid by a Novel Thiadiazole Derivative

Cong

et al. 2015

Electrochemistry

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“…Polarization resistance value increases with increasing inhibitor concentration, which suggests the retardation of iron corrosion in inhibited solutions with respect to uninhibited. The anodic dissolution of iron and cathodic reactions in acidic and/or alkaline media has been reported to proceed as follows [35]:…”

Section: Chemical and Electrochemical Measurementsmentioning

confidence: 99%

Inhibitive properties, thermodynamic, kinetics and quantum chemical calculations of polydentate Schiff base compounds as corrosion inhibitors for iron in acidic and alkaline media

Madkour

Elroby²

2015

Int J Ind Chem

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Quantum chemical calculations based on the density functional theory (DFT) method were performed on five polydentate Schiff base compounds (PSCs), act as corrosion inhibitors for iron in aerated 2.0 M HNO 3 and 2.0 M NaOH, aiming to analyze the characteristics of the inhibitor/surface mechanism as well as to analyze the experimental data and to describe the structural nature of the inhibitor on the corrosion process. The relationship between molecular structure of PSC and their inhibition efficiencies was discussed. The inhibition effect has been investigated using weight loss, thermometric, potentiodynamic polarization measurements and quantum chemical study. Among the compounds studied, 4-(2-hydroxynaphthylideneamino) antipyrine (PSC_1) exhibited the best inhibition efficiency IE (%) 78.4 % at 10 -4 M at 303 K. The high IE of (PSCs) was attributed to the blocking of active sites by adsorption of inhibitor molecules on the iron surface. Adsorption of (PSCs) inhibitors is spontaneous, exothermic, obeyed Temkin isotherm and is regarded as physiochemical mechanism. Polarization measurements indicate that all the examined Schiff bases are of mixedtype inhibitor in HNO 3 ; causing only inhibition of the cathode process in NaOH. The results showed that the inhibition efficiency of PSCs increased with the increase in E HOMO and decrease in E LUMO -E HOMO ; and the areas containing N and O atoms are most possible sites for bonding the metal iron surface by donating electrons to the metal.

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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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Adsorption and inhibition effect of 6-benzylaminopurine on cold rolled steel in 1.0M HCl

Cited by 395 publications

References 72 publications

Study of Adsorption Behavior and Inhibition Mechanism of Mild Steel in Hydrochloric Acid by a Novel Thiadiazole Derivative

Study of Adsorption Behavior and Inhibition Mechanism of Mild Steel in Hydrochloric Acid by a Novel Thiadiazole Derivative

Inhibitive properties, thermodynamic, kinetics and quantum chemical calculations of polydentate Schiff base compounds as corrosion inhibitors for iron in acidic and alkaline media

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

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