Green corrosion inhibition and DFT studies of phytoextract and green synthesis of copper nanoparticles of Jacaranda mimosaefolia

• Published in: Materials today : proceedings 2023, Vol.89, p.56-64
• Main Authors: Bhawsar, J., Chavez Diaz, G., Rodriguez Rivera, M.A., Uruchurtu-Chavarin, J., Jani, M., Valladares-Cisneros, M.G.
• Format: Article
• Language: English
• Subjects: DFT; Green copper Nanoparticles; Green corrosion inhibition; Jacaranda mimosaefolia; Potentiodynamic polarization curves
• ISSN: 2214-7853; 2214-7853
• DOI: 10.1016/j.matpr.2023.05.695

[Display omitted] The inhibitive behaviour of Jacaranda mimosaefolia flower extract and its green copper nanoparticles (GCuJmNPs) have been studied as green corrosion inhibitors (GCI) using AISI 1018 carbon steel in HCl medium at pH 2, and the green corrosion inhibition efficiency (GCIE) was estimated by Potentiodynamic Polarization Curves (PPC) at 25 + 2 °C. The quantum chemical studies have been also performed using the DFT tool and the electrochemical parameters such as dipole moment (μ), EHOMO, ELUMO, energy gap (ΔE), global hardness (η), chemical softness (S), electron affinity (A), ionization potential (I), the absolute electronegativity (χ), the fraction of electron transfer were calculated. The results showed that J. mimosaefolia flower extract acts as a cathodic inhibitor and protected better than GCuJmNPs, however, the GCuJmNPs made a GCIE in 28%. This work motive continues to study and explore the activity of green metallic nanoparticles as green corrosion inhibitors.