Research Information System
JOURNAL OF MOLECULAR STRUCTURE, vol.1367, no.146221, pp.1-18, 2026 (SCI-Expanded, Scopus)
A novel tri-cationic surfactant, (mono-14-6-diN), featuring three positively charged nitrogen centers, was synthesized and structurally confirmed using IR and NMR spectroscopy. Its performance as a corrosion inhibitor for low-carbon steel in 1.0 M HCl was rigorously evaluated at ultra-low concentrations (0.5, 1.0, and 5.0 ppm) utilizing open-circuit potential (OCP), Tafel polarization, and electrochemical impedance spectroscopy (EIS). Electrochemical measurements demonstrated that mono-14-6-diN significantly suppresses steel dissolution, proving effective even at ppm-level dosing. To elucidate the underlying mechanism, key physicochemical parameters, including critical micelle concentration (CMC), surface tension, and Gibbs free energy, were determined and correlated with electrochemical behavior. Static water contact-angle analysis revealed a hydrophobic surface transformation, verifying inhibitor adsorption. The adsorption mode was modeled via the Langmuir isotherm, while Density Functional Theory (DFT) calculations provided electronic descriptors that rationalized strong metal-inhibitor interactions. Scanning Electron Microscopy (SEM) confirmed the formation of a robust protective film that mitigated acid-induced damage. Overall, mono-14-6-diN exhibits outstanding inhibitory properties, driven by its low CMC (14.83 × 10–4 M) and superior surface activity. These findings highlight rapid interfacial coverage and charge-assisted adsorption, which collectively enhance charge-transfer resistance and reduce corrosion currents, demonstrating excellent agreement between experimental results and theoretical predictions.