Synthesis, characterization, experimental and theoretical calculations (DFT and MC) of ethoxylated aminothiazole as inhibitor for X65 steel corrosion in highly aggressive acidic media

Basiony, N.M. El; Elgendy, Amr; El-Tabey, Amira E.; Al-Sabagh, A.M.; El-Hafez, Gh.M. Abd; El-Raouf, Mohamed Abd; Migahed, M.A.

doi:10.1016/j.molliq.2019.111940

Cited by 63 publications

(17 citation statements)

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“…Some of the outputs of the computational calculation from the geometry optimized compounds were used to estimate some derived parameters, as shown in Table 4 , namely, the energy gap between the frontier molecular orbitals; S (softness, which has an indirect relationship with the chemical reactivity, S = 1/ η ); η , hardness (reciprocal of softness, η = 1/2[∂ 2 E /∂ 2 N 2 ] υ ( r ) ); dipole moment and ionization potential ( I ); and electron affinity ( A ) as well as Δ N max = χ /2 η (the maximum number of electrons transferred between the inhibitor and metal surface). 27,28 All the previous parameters were obtained in gas, solution, and protonated phases. For the solvent effect, certain COSMO control was used, as described previously.…”

Section: Methodsmentioning

confidence: 99%

“…; dipole moment and ionization potential (I); and electron affinity (A) as well as DN max ¼ c/2h (the maximum number of electrons transferred between the inhibitor and metal surface). 27,28 All the previous parameters were obtained in gas, solution, and protonated phases. For the solvent effect, certain COSMO control was used, as described previously.…”

Section: Quantum Chemical Modelmentioning

confidence: 99%

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Understanding the adsorption performance of two glycine derivatives as novel and environmentally safe anti-corrosion agents for copper in chloride solutions: experimental, DFT, and MC studies

et al. 2019

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Section: Methodsmentioning

confidence: 99%

Section: Quantum Chemical Modelmentioning

confidence: 99%

Understanding the adsorption performance of two glycine derivatives as novel and environmentally safe anti-corrosion agents for copper in chloride solutions: experimental, DFT, and MC studies

et al. 2019

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“…These findings may be attributed to the adsorption of these complex molecules on the carbon steel electrode surface immersed in WBM and the formation of a protective layer on the electrode surface . It has been reported in other studies that the presence of corrosion inhibitors in corrosive media hindered anodic and cathodic reactions on the metal surface, and as a result, the corrosion current density decreased. , …”

Section: Resultsmentioning

confidence: 78%

“… 43 It has been reported in other studies that the presence of corrosion inhibitors in corrosive media hindered anodic and cathodic reactions on the metal surface, and as a result, the corrosion current density decreased. 44 , 45 …”

Section: Resultsmentioning

confidence: 99%

Corrosion Control of Carbon Steel in Water-Based Mud by Nanosized Metallo-Cationic Surfactant Complexes During Drilling Operations

et al. 2020

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In this work, three nanometal complexes named cetyltrimethyammonium dibromodichloro zincate (CT-Zn), cetyltrimethyammonium dibromodichloro cuprate (CT-Cu), and cetyltrimethyammonium dibromodichloro manganesate (CT-Mn) were prepared, characterized, and evaluated as corrosion inhibitors for carbon steel in water-based mud (WBM). The chemical structure of the prepared complexes was confirmed by the use of Fourier transform infrared spectroscopy, Raman spectroscopy, elemental analysis, atomic absorption spectroscopy, dynamic light scattering, and thermogravimetric analysis techniques. The surface tension of the complexes was measured. The critical micelle concentrations and some of the surface properties were also determined. The compounds were evaluated as corrosion inhibitors for carbon steel in the prepared WBM using potentiodynamic polarization and weight loss methods during the static and dynamic conditions of the drilling operations. The results indicated that the prepared metal complexes showed high anticorrosion action as the inhibition efficiency increased gradually with the increase in the concentrations of the prepared complexes until it reached the maximum value (93.1%) at 300 ppm for CT-Cu. The order of inhibition efficiency of these inhibitors was as follows: CT-Cu > CT-Zn > CT-Mn. The polarization curves showed that these complexes acted as mixed-type inhibitors. According to the results, the adsorption of these compounds obeyed Langmuir adsorption isotherm. Surface analysis of the carbon steel samples was investigated using scanning electron microscopy, energy dispersive X-ray, and X-ray diffraction techniques. Rheological properties, gel strength, thixotropy, and filtration properties were also measured according to American Petroleum Institute specifications.

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“…The aggressive action of HCl on the X65 surface was imaged in the absence and presence of 1 × 10 −4 M of L600 after 3 h of treatment using SEM and EDX with the help of QUANTA FEG-250 at CMRDI. 25 2.4. Quantum Calculation Method.…”

Section: Introductionmentioning

confidence: 99%

Corrosion Inhibition of Carbon Steel in Hydrochloric Acid Solution Using Ethoxylated Nonionic Surfactants Based on Schiff Base: Electrochemical and Computational Investigations

et al. 2021

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Two ethoxylated nonionic surfactants (L400 and L600) based on Schiff base are prepared from polyoxyethylene, glyoxalic acid, and phenylenediamine. They are evaluated electrochemically as carbon steel corrosion inhibitors in 1 M HCl by electrochemical impedance spectroscopy (EIS) and Tafel techniques and complemented with microscopic analysis methods. The obtained Tafel data indicate the mixed-type behavior of the inhibitor used. The inhibition efficiency touches the peak at 1 × 10 –4 M, exhibiting 92 and 94% for L400 and L600, respectively. The presence of the tested inhibitors decreases corrosion current density ( i corr ) and double-layer capacitance ( C dl ) due to the formation of a protective adsorption layer in place of the already adsorbed water and aggressive Cl – ions. Both L400 and L600 adsorption modes follow Langmuir adsorption isotherm. The density functional theory (DFT) calculated indices (Δ E gap and E HOMO ) indicate the superiority of L600 over the L400 counterpart as a reactive compound. Adsorption of L600 and L400 over the Fe(1 1 0) in simulated acidic medium is investigated by Monte Carlo (MC) simulation to verify their inhibition performance and are matched with adsorption free energy Δ G ads calculated values. Both experimental and theoretical data are in agreement.

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Synthesis, characterization, experimental and theoretical calculations (DFT and MC) of ethoxylated aminothiazole as inhibitor for X65 steel corrosion in highly aggressive acidic media

Cited by 63 publications

References 50 publications

Understanding the adsorption performance of two glycine derivatives as novel and environmentally safe anti-corrosion agents for copper in chloride solutions: experimental, DFT, and MC studies

Understanding the adsorption performance of two glycine derivatives as novel and environmentally safe anti-corrosion agents for copper in chloride solutions: experimental, DFT, and MC studies

Corrosion Control of Carbon Steel in Water-Based Mud by Nanosized Metallo-Cationic Surfactant Complexes During Drilling Operations

Corrosion Inhibition of Carbon Steel in Hydrochloric Acid Solution Using Ethoxylated Nonionic Surfactants Based on Schiff Base: Electrochemical and Computational Investigations

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