Electrochemical study and modeling of an innovative pyrazole carboxamide derivative as an inhibitor for carbon steel corrosion in acidic environment.

Autor: Adnani REL; Laboratoire Bio-Géosciences Et Ingénierie Des Matériaux, Ecole Normale Supérieure, Université Hassan II de Casablanca, Casablanca, Morocco. eladnaniredouane45@gmail.com., Roby O; Laboratory of Organic Synthesis, Extraction and Valorization, Faculty of Sciences Ain Chock, Hassan II University, BP: 5366, Casablanca, Morocco., Youbi B; Laboratoire Bio-Géosciences Et Ingénierie Des Matériaux, Ecole Normale Supérieure, Université Hassan II de Casablanca, Casablanca, Morocco.; Centre Régional Des Métiers de L'Education Et de La Formation Casablanca-Settat, Casablanca, Morocco., Lghazi Y; Laboratoire Bio-Géosciences Et Ingénierie Des Matériaux, Ecole Normale Supérieure, Université Hassan II de Casablanca, Casablanca, Morocco., Aynaou A; Laboratoire Bio-Géosciences Et Ingénierie Des Matériaux, Ecole Normale Supérieure, Université Hassan II de Casablanca, Casablanca, Morocco., Waderhman K; Laboratoire Bio-Géosciences Et Ingénierie Des Matériaux, Ecole Normale Supérieure, Université Hassan II de Casablanca, Casablanca, Morocco., Tighadouini S; Laboratory of Organic Synthesis, Extraction and Valorization, Faculty of Sciences Ain Chock, Hassan II University, BP: 5366, Casablanca, Morocco., Alzahrani AYA; Department of Chemistry, Faculty of Science and Arts, King Khalid University, Mohail Assir, Saudi Arabia., Saddik R; Laboratory of Organic Synthesis, Extraction and Valorization, Faculty of Sciences Ain Chock, Hassan II University, BP: 5366, Casablanca, Morocco., Bimaghra I; Laboratoire Bio-Géosciences Et Ingénierie Des Matériaux, Ecole Normale Supérieure, Université Hassan II de Casablanca, Casablanca, Morocco.
Jazyk: angličtina
Zdroj: Environmental science and pollution research international [Environ Sci Pollut Res Int] 2024 Dec; Vol. 31 (57), pp. 65661-65675. Date of Electronic Publication: 2024 Nov 26.
DOI: 10.1007/s11356-024-35620-9
Abstrakt: The impact of N,1-dibenzyl-5-methyl-1H-pyrazol-3-carboxamide (BPC) on the carbon steel (CS) corrosion in hydrochloric acid (1 M) was studied in this work, considering concentration and temperature effects. Electrochemical investigation indicated that BPC functions as a mixed-type inhibitor. For an optimal BPC concentration of 125 ppm, the inhibition efficiency of 91.55% was obtained at 298 K. According to adsorption isotherm of Langmuir, the BPC adheres to the CS with standard adsorption free energy (ΔG° ads ) of - 26.76 kJ mol -1 . Furthermore, the calculation of dissolution activation parameters revealed an increase in energy (E a ) from 46.48 to 94.97 kJ mol -1 , an elevation in the enthalpy (∆H a ) from 43.89 to 92.37 kJ mol -1 , and a rise in the entropy (∆S a ) from - 91.17 to 51.43 J mol -1  K -1 in the presence of 125 ppm of BPC. The experimental results were confirmed by quantum chemistry calculations based on density functional theory (DFT) and molecular simulations using the Monte Carlo method. These theoretical approaches also allowed for a comparison of the inhibitory performances of BPC with its protonated form, BPCH, the latter being found more effective. Moreover, the study of the radial distribution function g(r) predicted that the nature of the bond formed with the steel surface is of a chemical type.
Competing Interests: Declarations. Ethics approval: The authors certify that they have no affiliations with or involvement in any organization or entity with any financial interest or non-financial interest in the subject matter or materials discussed in this manuscript. Consent to participate: Not applicable for this research article. Consent for publication: Not applicable for this research article. Conflict of interest: The authors declare no competing interests.
(© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)
Databáze: MEDLINE
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