Adsorption effect of 1‐((2‐hydroxynaphtalen‐1‐yl) (phenyl)methyl)urea on the carbon steel corrosion in hydrochloric acid media

Hosseini, S.M.A.; Bahrami, M.J.; Pilvar, P.

doi:10.1002/maco.200905500

Cited by 5 publications

(3 citation statements)

References 30 publications

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“…11 The value 55.5 in the above equation is the molar concentration of water in solution [36,37]. Thermodynamic parameters for adsorption process obtained from Langmuir's adsorption isotherm for the studied inhibitors are given in Table 4.…”

Section: Adsorption Isothermmentioning

confidence: 99%

Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media

Tao

et al. 2011

Materials & Corrosion

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Two triazole derivatives [1-phenyl-2-(5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadizaol-2-ylsulphanyl)-ethanone (PTOE) and 2-(4-tert-butylbenzylsulphanyl)-5-(1,2,4) triazol-1-ylmethyl-(1,3,4) oxadiazole (TBTO)] were synthesized as new corrosion inhibitors for the corrosion of mild steel in 1 M hydrochloric acid solutions. The inhibiting efficiency of the different inhibitors was evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. The electrochemical investigation results indicate that these compounds act as mixed-type inhibitors retarding the anodic and cathodic corrosion reactions and do not change the mechanism of either hydrogen evolution reaction or mild steel dissolution. The studied compounds followed the Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The effect of molecular structure on the inhibition efficiency has been investigated with ab initio calculations. The electronic properties such as highest occupied molecular orbital (HOMO) energy level, lowest unoccupied molecular orbital (LUMO) energy level, dipole moment (m) and molecular orbital densities were calculated.

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Section: Adsorption Isothermmentioning

confidence: 99%

Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media

Tao

et al. 2011

Materials & Corrosion

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“…Theoretical values of Fe = 7 eV and Fe = 0 eV can be used to calculate the amount of electron transfer from organic inhibitors to Fe metal surfaces. The inhibition efficiency value obtained from the electron donation of organic inhibitors to Fe metal coincides with the electron transfer value [37]. Organic inhibitors' ability to give electrons can do so to mild steel's surface (Fe 110).…”

Section: Resultsmentioning

confidence: 55%

Corrosion Inhibition Properties of Lawsone Derivatives againts Mild Steel: A Theoretical Study

Hadisaputra

Savalas

2023

J. Nig. Soc. Phys. Sci.

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Theoretical studies have been carried out using DFT, ab initio MP2 and Monte Carlo (MC) simulations of corrosion inhibitors from lawsone derivatives against carbon steel. The research focuses on studying the effect of substituent groups in the lawsone structure on the efficiency of corrosion inhibition in mild steel. Quantum chemical parameters of lawstone inhibitors in neutral and protonated conditions have been calculated. Fukui’s function analysis predicts that the active side of the inhibitor will be adsorbed on the mild steel surface. MC simulation is used to understand the adsorption patterns of lawsone compounds on metal surfaces. The organic inhibitor L-NH2 has better performance as a corrosion inhibitor for mild steel in neutral or protonated conditions.

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“…Progress in this field has revealed that corrosion inhibition is affected by several factors such as nature of the metal, the type of corrosive material, and the structure of the chemical composition used as an inhibitor which is directly related to its adsorption efficiency at the metal or alloy surface . Corrosion of metal and alloys causes a lot of annual financial loss to industries, for this reason, extensive research has been carried out on the factors affecting corrosion reduction . Among the various possibilities used to prevent corrosion are compounds that are adsorbed on the metal surface, blocking the metal from contact with the corrosive solution.…”

Section: Introductionmentioning

confidence: 99%

Computational study of inhibitory effect of urea, n‐allylthiourea, thiosemicarbazide, and phenylhydrazine on the aluminum surfaces

Zeidabadinejad

Hosseini

2019

Materials & Corrosion

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The interactions between urea, n‐allylthiourea, thiosemicarbazide, and phenylhydrazine on the aluminum surface have been analyzed employing B3LYP/6‐31g(d,p) level of theory in liquid water and gas phase. The interaction energies for two orientations of urea, n‐allylthiourea, thiosemicarbazide, and phenylhydrazine were considered. The calculations revealed that in all cases the urea, n‐allylthiourea, thiosemicarbazide, and phenylhydrazine are located parallel to the Al surface. The preferred complex orientation is that one, in which the maximum number of donor atoms of inhibitors have interacted with the Al surface. The thermodynamic descriptor such as the Gibbs free energy of the complexes of inhibitors with the Al surface has been evaluated. The natural bond orbital analysis of inhibitors complexes with the Al surface was done to find out how to transfer the charge and compare the stability of the interactions. The localized orbital locator, electron location function and analysis and quantum theory of atoms in the molecule have been used to investigate the nature of the various possible interactions between inhibitors with Al surface in terms of bond critical points.

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Adsorption effect of 1‐((2‐hydroxynaphtalen‐1‐yl) (phenyl)methyl)urea on the carbon steel corrosion in hydrochloric acid media

Cited by 5 publications

References 30 publications

Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media

Experimental and quantum chemical studies on two triazole derivatives as corrosion inhibitors for mild steel in acid media

Corrosion Inhibition Properties of Lawsone Derivatives againts Mild Steel: A Theoretical Study

Computational study of inhibitory effect of urea, n‐allylthiourea, thiosemicarbazide, and phenylhydrazine on the aluminum surfaces

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