Exploring Quinazolinone Compound as Corrosion Inhibitor for Mild Steel in Acidic Media: Electrochemical and Theoretical Studies
نویسندگان
1 Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, PO Box 133, 14000, Kenitra, Morocco
2 Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, PO Box 133, 14000, Kenitra, Morocco
3 Euromed University of Fez, Fez, Morocco
4 Laboratory of Organic Chemistry, Catalysis and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University PO Box 133, 14000, Kenitra, Morocco
5 Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, PO Box 133, 14000, Kenitra, Morocco
6 Euromed University of Fez, Fez, Morocco
7 Advanced Materials and Process Engineering, Faculty of Sciences, Ibn Tofaïl University, PO Box 133, 14000, Kenitra, Morocco
8 Laboratory of Organic Chemistry, Catalysis and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofail University PO Box 133, 14000, Kenitra, Morocco
doi
10.48309/ajca.2026.546165.1994چکیده
This study examines the corrosion inhibition efficacy of a novel quinazolinone derivative, 1'H-spiro[cyclohexane-1,2-quinazolin]-4'(3'H)-one (ZB5). The compound was characterized by ¹³C-NMR and ¹H-NMR spectroscopy, and its corrosion inhibition activity on mild steel (MS) was evaluated in a 1.0 M HCl solution using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). ZB5 demonstrated remarkable protection, with an inhibition efficiency of 82.83% at 10⁻³ M. Adsorption studies revealed that ZB5 follows the Langmuir isotherm model, confirming monolayer adsorption on the MS surface. Surface characterization by SEM/EDS, XRD, and FTIR confirmed the formation of a protective layer, while ICP-OES analysis provided information on elemental composition and ion release. Further density functional theory (DFT) calculations and Monte Carlo (MC) simulations established a strong correlation between the electronic structure of ZB5 and its adsorption behavior, thus confirming the experimental results. Overall, this work provides robust experimental and theoretical evidence for ZB5's strong corrosion-inhibiting capacity, highlighting its potential as an effective protective agent for mild steel in acidic environments.
