4.7 Article

Imidazolate of 1-butyl-3-ethyl imidazole as corrosion inhibitor on API 5L X52 steel in NaCl saturated with CO2

期刊

JOURNAL OF MOLECULAR LIQUIDS
卷 363, 期 -, 页码 -

出版社

ELSEVIER
DOI: 10.1016/j.molliq.2022.119826

关键词

Ionic liquids; Electrochemical Impedance Spectroscopy; Langmuir; Density Functional Theory; Corrosion inhibition

资金

  1. CONACyT [303769]
  2. DGAPA UNAM [PAPITT IN -114619, LANCAD-UNAM-DGTIC-063, PAPIIT IN102622]
  3. Facultad de Quimica
  4. PAIP- FQ program
  5. Facultad de Quimica (UNAM) , Departamento de Ingenieria Metalurgica

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In this study, the corrosion inhibition effect of the imidazolate of 1-butyl-3-ethyl imidazole was investigated on API 5L-X52 steel in a NaCl solution saturated with 3% CO2. The inhibition efficiency was found to increase with the concentration of the inhibitor. Thermodynamic analysis and experimental verification confirmed the inhibiting effect of the ionic liquid on the metal surface. Density functional theory calculations provided insights into the adsorption mechanism and stability of the inhibitor. The results of this research are significant for the development of efficient corrosion inhibitors.
Imidazolate of 1-butyl-3-ethyl imidazole (IBPI3) is studied as a corrosion inhibitor on API 5L-X52 steel in NaCl at 3% (m/v) saturated with CO2 at room temperature. The inhibition efficiency was determined throughout: 1) electrochemical methods, 2) polarization curves (Tafel Extrapolation) (CP) and 3) Electrochemical Impedance Spectroscopy (EIS). For all cases, it was determinate that inhibition efficiency increases with the concentration increase of IBPI3. The best efficiency was 94.9 % at a concentration of 50 ppm and room temperature. The thermodynamic analysis demonstrated that a combined adsorption process occurs, according to Langmuir isotherm at different rotation rates. The inhibiting effect of ionic liquids over the metallic surface was corroborated through SEM-EDS. Density functional theory (DFT) cal-culations, with an implicit solvation model, are carried out to bring light to the adsorption mechanism of IBPI3 species and its stability. Global parameters within the HSAB theoretical framework support the experimental results of the good corrosion inhibition properties found for the ionic liquid. The mixed physisorption-chemisorption is mainly accounted by the chemical bond arising between the anionic part of IBPI3 and the metal surface. Charge transference occurs from imidazolate to the nearest iron surface atoms, leading to a stronger electrostatic interaction between the cationic fragment of IBPI3 and these negatively charged metal atoms, which is the physical contribution to the adsorption process. The charge transference weakens the binding of the IBPI3 inhibitor to the metal surface. Condensed Fukui indices reveal that the layer formed on the metal surface, composed by IBPI3 molecules, is almost inert against nucleophilic and electrophilic attacks. (C) 2022 Published by Elsevier B.V.

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