ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Exploring the corrosion mitigation potential of N and O containing hetroatomic framework for aluminium surface: integration of experimental and theoretical approaches

Meng Xianwei, Yin Caihong, Kang Renmu, Hu Yao, Huang Xusheng, and Liu Shiduo

Department of Materials Engineering, Sichuan Polytechnic University, Deyang, China

E-mail: caihongyin03@gmail.com

Received: 10 November 2024  Accepted: 20 December 2024

Abstract:

Despite the simultaneous presence of organic materials may have technical advantages in shielding delicate metallic objects from corrosive conditions, little is known concerning the way organic compounds interact and the way the functional protective film is formed. For this purpose, pyrazole-pyran-pyrimidine derivative (PPP) was synthesized and employed as potential anti-corrosive inhibitor for aluminium (Al) in 1 M HCl. The results demonstrate that PPP has inhibitory efficiency of 96.8% at 400 mg/L. The PPP adsorption on the surface of Al follows the Langmuir adsorption isotherm, which takes into account both chemisorption and physisorption. Electrochemical impedance spectroscopy (EIS) results demonstrate that charge transfer resistance and double-layer capacitance increases and decreases with the addition of PPP. The adsorption of PPP was confirmed by the atomic force microscopy (AFM), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and contact angle micrographs. Furthermore, density functional theory (DFT) and molecular dynamic simulation (MD) study supports the adsorption potential of PPP over the Al (111) and Al₂O₃ (111) surfaces.

Keywords: Corrosion inhibition; Hydrochloric acid; X-ray photoelectron spectroscopy; Aluminium; Density functional theory; Scanning electron microscopy

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-024-03871-y

Chemical Papers 79 (3) 1507–1521 (2025)