A detailed investigation on the corrosion inhibition effect of by newly synthesized pyran derivative on mild steel in 1.0 M HCl: Experimental, surface morphological (SEM-EDS, DRX& AFM) and computational analysis (DFT & MD simulation)

• Published in: Journal of molecular liquids 2021-12, Vol.344, p.117777, Article 117777
• Main Authors: Ouakki, Moussa, Galai, Mouhsine, Benzekri, Zakaria, Aribou, Zakia, Ech-chihbi, Elhachmia, Guo, Lei, Dahmani, Khadija, Nouneh, Khalid, Briche, Samir, Boukhris, Said, Cherkaoui, Mohammed
• Format: Article
• Language: English
• Subjects: Adsorption; AFM; Corrosion inhibition; DFT & MD simulation; EDS; EIS; FTIR; HCl medium; PDP techniques; Pyran; SEM; UV–vis analyzes
• ISSN: 0167-7322; 1873-3166
• DOI: 10.1016/j.molliq.2021.117777

•PY-2Cl and PY-2Cl act as effective inhibitors for MS acidic corrosion.•The adsorption of PY-2Cl and PY-2Cl followed the Langmuir isotherm model.•Adsorption on the surface is analyzed by AFM, SEM/EDS, XRD, and FTIR techniques.•Theoretical data provide in-depth understanding of the experimental results. The present paper examines the adsorption of two novel heterocyclic compounds of the pyran derivatives, namely, 2-amino-4-(2-chlorophenyl)-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile (PY-2Cl) and 2-amino-4-(4-chlorophenyl)-5-oxo-4,5-dihydropyrano[3,2c]chromene-3-carbonitrile (PY-4Cl) against the corrosion of mild steel (MS) in molar hydrochloric acid (HCl) medium. The experimental investigation was carried out utilizing a series of techniques including Weight Loss (WL), Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP). Results showed that inhibition effectiveness of PY-2Cl and PY-4Cl increases with their concentration. Polarization results showed that PY-2Cl and PY-4Cl displayed mixed type behaviour. Inhibition efficiencies of PY-2Cl and PY-4Cl followed the order: 85.8% (PY-4Cl)