A new trend in corrosion protection of copper in acidic medium by using Jujube shell extract as an effective green and environmentally safe corrosion inhibitor: Experimental, quantum chemistry approach and Monte Carlo simulation study

Abstract

An effective and eco-friendly Jujube shell (JS) extract was studied as a corrosion inhibitor for copper in 1 M hydrochloric acid. This work was investigated by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and weight loss coupled with atomic absorption spectroscopy techniques. Atomic force microscopy (AFM), Scanning electron microscopy (SEM) and energy dispersive X-ray spectrometry (EDS) revealed the surface morphology in the presence and absence of inhibitor on the metal surface. The experimental results reveal that the JS extract act as a cathodic-type with an inhibition efficiency (IE%) up to 91% for 2 g L−1 at 298 K. In addition, this extract shows good inhibitory activity at a wide range of temperatures. The thermodynamic parameters were determined and discussed. Meanwhile, Monte Carlo simulation and Quantum chemical calculations by application of density functional theory (DFT) were carried out to help better understand the inhibition mechanism of this extract on the copper surface. The results indicated the feasibility of using the Jujube shell (JS) extract as a corrosion inhibitor in acid environment.