Multi-faceted investigation: DFT studies and corrosion inhibition potential of 4-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)-phenol for mild steel in 0.5 M HCl medium

• A. Jabbar and Y.K. Al-Majedy

Applied Science Department, University of Technology, P.O. Box 19006, Baghdad, Iraq

Abstract: This research delves into the synthesis, characterization, and corrosion inhibition potential of a novel compound, (E)-4-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)phenol, designed to safeguard mild steel against corrosion in a 0.5 M HCl medium. The study emphasizes the complexity of corrosion inhibition, considering factors such as inhibitor properties, surface characteristics, environmental conditions, and adsorption mechanisms. Organic compounds with heightened basicity and electron density on heteroatoms like nitrogen, oxygen, and sulfur demonstrate a proclivity for resisting corrosion. Nitrogen and oxygen, as active sites for adsorption, form protective layers that impede corrosive assaults. This investigation goes beyond synthesis and characterization, introducing a novel dimension by incorporating Density Functional Theory (DFT) studies. The previously unexplored compound, (E)-4-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)phenol, undergoes rigorous evaluation as a corrosion inhibitor for mild steel X52 in a 0.5 M HCl medium. DFT studies provide deeper insights into molecular interactions, enhancing the overall understanding of corrosion inhibition. To comprehensively assess corrosion inhibition, electrochemical impedance spectroscopy (EIS) is employed for comparative analysis, shedding light on the compound’s potential to mitigate corrosion. By scrutinizing the corrosion inhibition attributes of (E)-4-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)phenol, this research advances the understanding of corrosion mechanisms and introduces a promising contender in the domain of corrosion-resistant materials. As industries increasingly seek eco-friendly processes and sustainable solutions, exploring this derivative underscores its potential contribution to corrosion inhibition, providing valuable insights for future industrial applications. This multifaceted approach, encompassing synthesis, characterization, electrochemical analysis, and DFT studies, represents a significant stride toward a comprehensive understanding of corrosion inhibition mechanisms and the development of effective corrosion protection strategies, including weight loss methods as part of the assessment.

Keywords: anti-corrosion, 2-methylindole-3-carboxaldehyde, mild steel, inhibition efficiency

Int. J. Corros. Scale Inhib., 2024, 13, no. 2, 790-811
doi: 10.17675/2305-6894-2024-13-2-8

Download PDF (Total downloads: 12)

Back to this issue content: 2024, Vol. 13, Issue 2 (pp. 630-... (in progress))