Catechol derivative as a novel bio-based corrosion inhibitor for carbon steel in 1 M HCl solution: Synthesis, experiments, and theoretical studies

A novel bio-based corrosion inhibitor, hexadecyl amine-modified catechol (CA16), was synthesized, and its molecular structure was characterized. The ability of CA16 to inhibit the corrosion of carbon steel in 1 M HCl was evaluated by potentiodynamic polarization, electrochemical impedance spectroscopy and weight loss. The highest inhibition efficiency reached 96.87% at 10 −3 M. CA16 is a mixed-type corrosion inhibitor that can adsorb on the Fe surface spontaneously through chemical adsorption following the Langmuir adsorption model. The adsorption of CA16 and carbon steel occurred between catechol groups and the Fe surface, as confirmed by quantum chemical calculations and molecular dynamic simulations. This novel bio-derived high-performance inhibitor offers a sustainable alternative to conventional petrochemical-based counterparts, demonstrating significant potential for industrial-scale applications while aligning with green chemistry principles.