Computational Stimulation and Experimental Study on Corrosion Inhibition Qualities of <i>Emilia sonchifolia</i> Leaf Extract for Copper (CU131729) in Hydrochloric Acid

Copper corrosion inhibition by Emilia sonchifolia (ES) leaf extract has been studied in 2 M hydrochloric acid solution using electrochemical measurement, energy dispersive X-ray emission spectroscopy and surface examination techniques. Computational simulations were adopted to describe probable reactiveness of individual ES constituents mechanism interaction with copper crystal. Results obtained from potentiodynamic polarization revealed a shift potentials (CU131729) more positive the presence increased effect as inhibitor concentration also decrease both current densities suggesting mixed type characteristics pronounced anodic protection. Surface elemental characterization species products formed on corroded CU131729 confirming formation complex chelating ligands through interactions metal surface. Quantum chemical calculations molecular dynamics employed theoretically analyse constituent at level results strong spontaneous adsorption high binding energies which affirms observed quality action. descriptors such HOMO LUMO, gap, number transferred electrons, global hardness softness, electrophilicity, computed discussed.