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Ali Hassan Abdulrahman Bahkali

Professor

Faculty

كلية العلوم
Building 5 Floor 2 Office 2B 53
publication
Journal Article
2024

Exploring the synthesis and application of a pyrazole derivative in corrosion protection: Theoretical modeling and experimental investigations

This research investigates the inhibitory performance of BM-02, a synthesized pyrazole derivative (R)-5-(4-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole, against the corrosion of mild steel in a 1 M hydrochloric acid solution. A comprehensive array of experimental techniques, including weight loss analysis, potentiodynamic polarization, electrochemical impedance spectroscopy, and scanning electron microscopy, were employed to assess the inhibitory effectiveness. BM-02 is identified as a mixed inhibitor, showcasing a remarkable efficiency of 91.5 % at a concentration of 10−3 mol/l. The adsorption behavior of the BM-02 molecule was investigated, revealing a physical adsorption model in accordance with the Langmuir isotherm. Furthermore, ATR-IR, 1H NMR, and 13C NMR spectra were acquired, complemented by density functional theory (DFT) calculations and molecular dynamics (MD) simulations to gain deeper insights into the molecular interactions and corrosion inhibition mechanism. © 2024

Publisher Name
Journal of Molecular Structure
Volume Number
1312
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This research investigates the inhibitory performance of BM-02, a synthesized pyrazole derivative (R)-5-(4-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole, against the corrosion of mild steel…

by Matine A.; Bakhouch M.; Mohammad-Salim H.; Elgorban A.M.; Bahkali A.H.; Abdallaoui H.E.A.E.; Syed A.; Idrissi M.E.; Verma M.; Zeroual A.; de Julián-Ortiz J.V.
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Journal of Molecular Structure
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by Ayub H.; Jabeen U.; Ahmad I.; Aamir M.; Ullah A.; Mushtaq A.; Behlil F.; Javaid B.; Syed A.; Elgorban A.M.; Bahkali A.H.; Zairov R.; Ali A.
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Heliyon