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Corrosion control of copper alloys such as brass is of great interest to researchers and scientists. Clays become materials of choice as corrosion inhibitors and as their reservoir in corrosive environments. The effect of Rhassoul on the corrosion of Cu-36Zn alloy in 3% NaCl solution has been studied. Electrochemical techniques showed that the optimum concentration was 1g/L showing the highest inhibition efficiency (82%). This concentration was evaluated at five different temperatures. In order to determine the influence of purification, this result was compared to that of the homoionic clay labeled Na+-ST and to the pure calcite. Chemical composition of the brass specimen and solutions were done by inductively coupled plasma atomic emission spectrometry (ICP-AES) and atomic absorption (AA) respectively. The effectiveness of this clay against the dissolution of Zinc reached 61%. XRD technique demonstrated the homoionization of this clay by shifting the basal spacing d001.

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<p class="Mabstract"><span lang="EN-US">The computational study was carried out to understand the anti-corrosion properties of Croweacin, a major chemical component of two essential oils of <em>Ammi visnaga</em> (L.) Lam collected from northern Morocco in 2016 (EO16) and 2018 (EO18) against brass corrosion in a 3% NaCl medium. The study, moreover, considers the inhibitory effect of some minor compounds of EO18 such as Eugenol, Trans-Anethole, α-Isophorone, and Thymol. In this context, the quantum mechanics modelling using the density functional theory (DFT) method with B3LYP /6-31G (d, p) were conducted in the aqueous medium by the use of the IEFPCM model and SCRF theory. The DFT method was adopted to identify, analyze and interpret several elements such as the electronic features, the Frontier Molecular Orbitals (FMO) diagram, Molecular Electrostatic Potential (MEP), contours maps of the electrostatic potential (ESP), and the Mulliken population analysis. The DFT demonstrated that the studied compounds are excellent corrosion inhibitors.</span></p><p class="Mabstract"><span lang="EN-US">Furthermore, the Monte Carlo (MC) type simulation of molecular dynamics (MD) was carried out to provide information on the adsorption mechanism of the studied inhibitors through the active sites on the metal surface. This method informed us that the studied inhibitors have high adsorption energy when interacting with the metal surface, especially for Croweacin (-68.63 kcal/mol). The results obtained from DFT and the MC type simulations are in good agreement.</span></p>