Bis-1,2,3-triazole derivative as an efficient corrosion inhibitor for mild steel in hydrochloric acid environment: Insights from experimental and computational analysis

Investigations were made on the inhibitory behaviour of 1,1 & PRIME;-dibenzyl-5-phenyl-1H,1 & PRIME;H-4,4 & PRIME;-bi(1,2,3-triazole) (DBPBT) on mild steel (MS) corrosion. The numerous techniques were used, include weight loss (WL), electrochemical impedance spectroscopy (EIS), potentiodynamic polarisation (PDP), scanning electron microscopy (SEM), and Atomic force microscopy (AFM). The amount of resistance to mild steel corrosion varied depending on the temperature and concentration of the DBPBT. The inhibitor displayed a 96.32 % inhibitory efficiency (IE %) at 100 ppm at 302K, while this value dropped to 87.91 % at 332 K. We assessed and dealt with the thermodynamic and kinetic characteristics of MS corrosion and inhibitor adsorption. Mixed adsorption is depicted as the Gibbs free energy of adsorption (i.e., both chemisorption and physisorption). According to results from the Tafel polarisation technique, the mixed mode of inhibition mechanism was hypothesized for the action of the tested inhibitor. The creation of the protective layer was validated by changes in surface roughness (SEM & AFM) and the presence of new element peaks (EDX) before and after film formation. The DFT and stimulation outcomes demonstrate that the inhibitor compound aryl rings and bis-triazole rings can aid in their adsorption on metal surfaces. Antimicrobial activity of the inhibitor compound was confirmed by the disc diffusion method.