Akademik Veri Yönetim Sistemi
Journal of Molecular Structure, cilt.1365, 2026 (SCI-Expanded, Scopus)
This study evaluates three amino pyrazole phthalazine derivatives (APPZs) as corrosion inhibitors for mild steel in 1 M HCl. The inhibitory performance was investigated using weight loss, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), scanning electron microscopy (SEM), atomic force microscopy (AFM), and computational methods. Gravimetric analysis showed that activation energies increased from 29.11 kJ mol⁻¹ in the blank solution to a range of 45.08–55.77 kJ mol⁻¹ in inhibited systems. Adsorption followed the Langmuir isotherm, with standard free adsorption energies (ΔG°ads) ranging from −27 to −40 kJ mol⁻¹, indicating mixed physisorption–chemisorption. EIS revealed corrosion control via a charge-transfer mechanism, modeled using a constant phase element (CPE). Charge-transfer resistance (Rct) increased to 438.5 Ω for APPZ I. APPZ I achieved maximum inhibition efficiency of 97.8 % at 0.63 mmol L⁻¹, following the performance ranking as APPZ I > APPZ II > APPZ III. PDP curves established mixed–type inhibition for all APPZ inhibitors by suppressing both anodic and cathodic reactions. Surface characterization via SEM/AFM confirmed the formation of protective films on the metal surface. Furthermore, Monte Carlo simulations showed that methoxy substitution in APPZ I correlated with a superior adsorption energy (−143.78 kcal mol⁻¹).