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Synergistic theoretical and electrochemical evaluation of sulfonamide-based inhibitors for mild steel corrosion in HCl
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DOI：10.1039/D6RA02832B.png)
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Abstract
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The corrosion inhibition performance of three sulfonamide-based compounds; namely 4-methyl-N-(pyridin-2-yl)benzenesulfonamide (SAP4); N; N′-benzene-1; 4-diylbis(4-methylbenzenesulfonamide) (SAP5); and N; N′-(cyclohexane-1; 2-diyl)bis(4-methylbenzenesulfonamide) (SAP6); was investigated for mild steel in 1 M HCl using combined theoretical and experimental approaches. Density functional theory (DFT) calculations provided insight into the electronic properties and reactive sites of the molecules; while Monte Carlo simulations suggested favorable adsorption on the Fe (110) surface. Experimental results from potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) demonstrated high inhibition efficiencies; reaching approximately 94%; 95%; and 89% for SAP4; SAP5; and SAP6; respectively; at 1 × 10−3 M. The polarization results indicate that the inhibitors affect both anodic and cathodic reactions; suggesting a predominantly mixed-type inhibition behavior. Adsorption studies revealed that the inhibitors follow the Langmuir isotherm model; with high correlation coefficients and negative values of (−36.66 to −35.32 kJ mol−1); indicating spontaneous adsorption involving both physical and chemical interactions. The effect of temperature was evaluated over the range of 298–328 K; where the inhibitors maintained relatively high inhibition efficiencies; although a slight decrease was observed with increasing temperature. Surface analysis further confirmed the formation of a protective adsorbed film on the mild steel surface. Overall; the combined findings highlight the potential of sulfonamide-based compounds; particularly SAP5; as effective corrosion inhibitors for mild steel in acidic environments.
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