Weight loss, electrochemical measurements and DFT studies on corrosion inhibition by 7-mercapto-4-methylcoumarin DOI Creative Commons

Abdulkhalaq Fawzy Hamood,

Hussein Mousa Habeeb,

Basheer A. Abdulhussein

et al.

Results in Engineering, Journal Year: 2024, Volume and Issue: 23, P. 102677 - 102677

Published: Aug. 6, 2024

Corrosion becomes a severe problem in several sectors due to its various effects. The present work focusing for corrosion inhibition efficiency of mild steel 1 M HCl using 7-mercapto-4-methylcoumarin (MMC) through experimental and theoretical methods. Thus, the key goal is understand what extents MMC efficient avoiding situations. With this end view, electrochemical impedance spectroscopy (EIS), dynamic polarization (DP) test weight loss measurements were carried out. outcomes showed fact that mitigation was directly proportional concentration but it negatively temperature. highest efficiency, up 95.8 %, demonstrated at an inhibitor 0.5 mM. Based on Langmuir adsorption isotherm wear properties indicated mixed passive nature during interactions. Additionally, quantum chemical calculations, including density functional theory (DFT), achieved determine molecular structure relationships. Key parameters such as energy gap (Egap), EHOMO, ELUMO, hardness (η), softness, electronegativity (χ), electron fraction transitions (ΔN) also determine. results from these computations confirmed with results, confirming characteristics MMC. variation activation presence tested further validated effective inhibitor, comprehensive insights into potential industrial usages.

Language: Английский

Weight loss, electrochemical measurements and DFT studies on corrosion inhibition by 7-mercapto-4-methylcoumarin DOI Creative Commons

Abdulkhalaq Fawzy Hamood,

Hussein Mousa Habeeb,

Basheer A. Abdulhussein

et al.

Results in Engineering, Journal Year: 2024, Volume and Issue: 23, P. 102677 - 102677

Published: Aug. 6, 2024

Corrosion becomes a severe problem in several sectors due to its various effects. The present work focusing for corrosion inhibition efficiency of mild steel 1 M HCl using 7-mercapto-4-methylcoumarin (MMC) through experimental and theoretical methods. Thus, the key goal is understand what extents MMC efficient avoiding situations. With this end view, electrochemical impedance spectroscopy (EIS), dynamic polarization (DP) test weight loss measurements were carried out. outcomes showed fact that mitigation was directly proportional concentration but it negatively temperature. highest efficiency, up 95.8 %, demonstrated at an inhibitor 0.5 mM. Based on Langmuir adsorption isotherm wear properties indicated mixed passive nature during interactions. Additionally, quantum chemical calculations, including density functional theory (DFT), achieved determine molecular structure relationships. Key parameters such as energy gap (Egap), EHOMO, ELUMO, hardness (η), softness, electronegativity (χ), electron fraction transitions (ΔN) also determine. results from these computations confirmed with results, confirming characteristics MMC. variation activation presence tested further validated effective inhibitor, comprehensive insights into potential industrial usages.

Language: Английский

Citations

8