article · ACS Omega
Steel is widely used across industries for its strength and durability, but it remains susceptible to corrosion. In this study, two novel triazole-thione Schiff bases, TMAT and DMTMAT, were synthesised and evaluated as corrosion inhibitors for carbon steel in a one-molar hydrochloric acid environment. Experimental testing demonstrated that both molecules form a protective film through spontaneous adsorption on the steel surface. In weight loss evaluations, TMAT and DMTMAT achieved inhibition efficiencies of 91.1 percent and 94.0 percent, respectively, at concentrations of 0.001 M. Electrochemical analyses confirmed that the substances act as mixed-type inhibitors and follow the Langmuir adsorption isotherm model. Molecular dynamics simulations supported these practical results, showing that the inhibitor molecules align nearly parallel to the metal surface to provide effective coverage.
Carbon steel is a fundamental structural material across multiple industries, but its vulnerability to acidic corrosion causes substantial material degradation. Identifying novel organic molecules that spontaneously create protective films offers a viable route to safeguarding steel components against acid exposure, helping to preserve industrial equipment and reduce maintenance requirements.
This work could inform the formulation of new corrosion-inhibiting chemical additives for industrial operators handling carbon steel in acidic conditions, such as acid washing or pickling. Potential users include industrial chemical suppliers and asset integrity managers. The technology is currently early-stage laboratory research and computational modelling, meaning formulation stability, scaling, and field trials under operational conditions are still required before commercial deployment.
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Due to the unique properties of steel, including its hardness, durability, and superconductivity, which make it an essential material in many industries, it lacks corrosion resistance. Herewith, two novel triazole-thione Schiff bases, namely, (<i>E</i>)-5-methyl-4-((thiophen-2-ylmethylene)amino)-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione (TMAT) and (<i>E</i>)-4-(((5-(dimethylamino)thiophen-2-yl)methylene)amino)-5-methyl-2,4-dihydro-3<i>H</i>-1,2,4-triazole-3-thione (DMTMAT), were synthesized and characterized. The corrosion inhibition (CI) ability of these two molecules on carbon steel in an aqueous solution of 1 M HCl as well as their interaction with its surface was studied using a number of different techniques. The results confirmed that the CI capability of these organic molecules depends on their strong adsorption on the metal surface and the formation of a protective anticorrosion film. Weight loss tests revealed that the inhibition efficiencies of TMAT and DMTMAT were 91.1 and 94.0%, respectively, at 1 × 10<sup>-3</sup> M concentrations. The results of electrochemical impedance spectroscopy (EIS) indicated that there was a direct relationship between the inhibitor concentration and the transfer resistance. Potentiodynamic polarization (PDP) experiments have proven to be mixed-type inhibitors of C-steel in aqueous hydrochloric acid solution and follow the Langmuir adsorption isotherm model. Several thermodynamic and kinetic parameters were calculated. The negative values of the adsorption-free energy are -36.7 and -38.5 kJ/mol for TMAT and DMTMAT, respectively, confirming the spontaneity of the adsorption process. The MD simulation study's findings show that the inhibitor molecules are nearly parallel to the metal surface. The interaction energy calculated by the MD simulation and the inhibitory trend are the same. The practical implementation is consistent with what the computer models predicted.
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DOI: 10.1021/acsomega.3c08127
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