Rhododendron simsii leaf extract as a corrosion inhibitor for Cu in 0.5 M H₂SO₄: Experimental and theoretical studies

This study focuses on the utilization of a facile method to obtain Rhododendron simsii leaves extract (RSLE) as an efficient green corrosion inhibitor for Cu in 0.5 M H2SO4. The functional groups in RSLE were characterized using Fourier transform infrared spectroscopy (FTIR). The corrosion inhibition effect of RSLE was comprehensively evaluated by combining weight loss, electrochemical and surface analysis methods. The results showed that the maximum corrosion inhibition efficiency for Cu in the temperature range of 298 K similar to 308 K was more than 92.6% when the concentration of RSLE was 500 mg/L. RSLE is a mix-type corrosion inhibitor, and the adsorption on the surface of Cu was in accordance with the Langmuir model. In addition, the reaction sites and adsorption configurations on the Cu (1 1 1) surface of several typical active molecules in RSLE were analyzed by quantum chemistry (QC) and molecular dynamics simulation (MDS). The combination of experimental and theoretical results confirms that RSLE has excellent corrosion inhibition properties for Cu in acidic environments. In this study, an efficient corrosion inhibitor for copper corrosion in acidic environments was extracted for the first time from Rhododendron simsii leaves, providing a new perspective for future Cu corrosion prevention studies.