Guardians against Corrosion: Exploring Diphenylpyrazoles through Experimental and DFT Analysis

Document Type : Original Article

Author

Iraq-Bagdad-10001

Abstract

Delving into the protective realm, this study unravels the corrosion inhibitory prowess of 5-Amino-1,3-diphenylpyrazole and nitrogen-enriched 5-hydroxy-1,3-diphenylpyrazole for mild steel in acidic solutions. Employing a holistic approach, encompassing weight loss techniques and Density Functional Theory (DFT) calculations, we explored the inhibitory actions under diverse concentrations, immersion times, and temperatures. At the optimal 0.5 mM concentration, 5-Amino-1,3-diphenylpyrazole exhibited an impressive 94.7% inhibition efficiency, while 5-hydroxy-1,3-diphenylpyrazole showed 86.4% efficiency at 303 K with a 10-hour exposure. Unveiling a mixed inhibitory nature, the compounds demonstrated increased inhibition efficiency with rising concentration. DFT calculations shed light on molecular interactions and electronic properties, providing insights into the corrosion inhibition process. The investigation uncovered Langmuir adsorption isotherms governing the adsorption-driven mechanism, and thermodynamic parameters suggested a multifaceted interaction at the metal/solution interface, encompassing both chemisorption and physisorption. These revelations enhance our understanding of the corrosion inhibition mechanisms, paving the way for effective strategies in safeguarding mild steel in corrosive environments

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Progress in Color, Colorants and Coatings

Articles in Press, Accepted Manuscript
Available Online from 26 March 2024

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