An Investigation into the Synthesis and Characterization of Novel Tetrazole Derivatives for Application as Mild Steel Corrosion Inhibitors in a Solution of Hydrochloric Acid.

ABSTRACT: The objective of the study was to synthesize tetrazole molecules featuring nitro groups positioned at the para and meta locations. We aimed to assess their effectiveness in inhibiting corrosion of mild steel in a 1 M HCl solution at 298 K. Tetrazoles with 2,5-disubstitution were created using [3 + 2] cycloaddition and N-alkylation techniques, with a particular emphasis on synthesizing molecules that contain nitro groups. Tafel polarization experiments, which employ the polarization curve approach, were used to assess the effectiveness of corrosion inhibition. Furthermore, quantum chemical calculations using density functional theory and Monte Carlo simulations were used to investigate the connection between the molecular structure of the produced tetrazoles and their efficacy as corrosion

SUBMITTER: Sghyar R 

PROVIDER: S-EPMC11755168 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature