Novel synthesized triazole derivatives as effective corrosion inhibitors for carbon steel in 1M HCl solution: experimental and computational studies

Abstract

This article outlines the synthesis of two derivatives of 4-amino-5-hydrazineyl-4H-1,2,4-triazole-3-thiol for the prevention of carbon steel corrosion in 1M HCl solution. These derivatives are (Z)-3-(1-(2-(4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)hydrazono)ethyl)-2H-chromen-2-one (TZ1) and 5-(2-(9H-fluoren-9-ylidene)hydrazineyl)-4-amino-4H-1,2,4-triazole-3-thiol (TZ2). Weight loss, electrochemical experiments, surface examinations, and theoretical computation are used to evaluate the effectiveness of the two compounds to be used as corrosion inhibitors. Weight loss and electrochemical studies demonstrate that these derivatives reduce the corrosion rate of carbon steel. To examine the morphology and constitution of the carbon steel surface submerged in HCl solution as well as after adding inhibitors, surface examination tests are performed. Analysis of the test solution via UV–visible spectroscopy is employed to check the possibility of complex formation between inhibitor molecules and Fe2+ ions released during the corrosion process. In order to explore their biological activity, the antibacterial activity was investigated against (E. coli and Bacillus subtilis). Finally, theoretical confirmation of the experimental findings is provided by quantum chemical (DFT) and Monte Carlo (MC) simulation studies. More adsorption sites are present in the derivatives of 4-amino-5-hydrazineyl-4H-1,2,4-triazole-3-thiol, which offer a novel perspective for developing new classes of corrosion inhibitors with substantial protective efficacy, especially at high temperatures.