Corrosion Inhibition of Carbon Steel in HCl Solution Using a Novel Bis-Spiropyrazole Compound: Experimental and Quantum Calculations
摘要
The corrosion behavior of carbon steel (CS) in 1 M hydrochloric acid solution was investigated using different concentrations of bis-spiropyrazole (BSP) (4, 11-bis-(2-chloro-pheynyl)-3,10- bis-(4-chloro-phyenyl-1,2,8,9-tetraaza-dispiro [4.1.4.2] trideca-2,9-dien-6-one) as a corrosion inhibitor. The study employed open circuit potential (OCP), potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM–EDX), and Quantum chemical calculations (QC) to evaluate the inhibition performance. BSP was synthesized and characterized using infrared spectroscopy (IR) and nuclear magnetic resonance spectroscopy (1H NMR and 13C NMR). Electrochemical polarization measurements revealed a shift in the corrosion potential toward more cathodic (negative) values upon BSP addition. The inhibition efficiency (IE%) increased with rising BSP concentration, reaching approximately 99% at 500 ppm. Both PDP and EIS results confirmed the significant protective effect of BSP, indicating the formation of a stable protective film on the carbon steel surface. Surface morphology analysis by SEM showed a markedly smoother and more intact surface for the inhibited sample compared to the uninhibited one, while EDX confirmed the presence of BSP derived elements on the steel surface. Quantum chemical calculations further supported the experimental findings, indicating that the low bandgap energy and high polarizability of BSP facilitate electron transfer between the inhibitor molecules and the C-steel surface, promoting effective adsorption and protective film formation. Overall, the combined electrochemical, surface, and quantum chemical analyses demonstrate that BSP is a highly efficient and promising candidate for practical applications in acid corrosion control of carbon steel, particularly in industrial processes where effective and stable inhibitors are essential.