Elaboration, optimization, and characterization of new harmaline-based derivatives as corrosion inhibitors for E24 carbon steel in 1M HCl medium: an integrated experimental, surface, and computational approaches (DFT, MD, RDG, ELF)

Puntos clave

• Corrosion inhibition is effectively enhanced by new harmaline derivatives, ensuring better protection for carbon steel.
• A 40% reduction in corrosion rate was observed, highlighting the significant improvement from previous inhibitors.
• Integrated experimental and computational approaches, including density functional theory and molecular dynamics, provide thorough characterization.
• The findings suggest potential applications for these derivatives in industrial settings, emphasizing the need for real-world testing.