Valorization of 1, 12-bis (4-amino-3-methyl-1, 2, 4-triazole)-5-S-dodecane on the corrosion of Bronze in 3.5% NaCl solution experiments and theoretical study
DOI:
https://doi.org/10.62638/ZasMat1562Abstract
The present study aimed to investigate the effect of a new triazole derivative, 1,12-bis (4-amino-3-methyl-1,2,4-triazole)-5-S-dodecane (dTC12), which was synthesized and characterized by NMR spectroscopy.The inhibition of dTC12 corrosion for Bronze in 3.5% NaCl solution was performed using potentiodynamic polarization and electrochemical impedance spectroscopy. The experimental results show that the inhibitor effectively reduces the bronze B66 corrosion rate when the metal is directly immersed in the 3.5% NaCl solution containing dissolved inhibitor molecules. Polarization data indicates that the examined dTC12 acts as a mixed type of inhibitor.The inhibition efficiency increases with increasing inhibitor concentration and immersion time in an aggressive medium. EIS results show that the change in impedance parameters with the concentration of inhibitor studied is indicative that the dTC12 acts by forming a thick film on the metal surface. This study is accomplished by in-depth theoretical calculations of exploitation strategies supporting density functional theory (DFT/B3LYP) and molecular dynamics (MD) simulations.
Keywords:
Bronze B66, Corrosion Inhibition , Density Functional Theory , Molecular DynamicsReferences
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