RESUMEN
This study focuses on the synthesis, theoretical analysis, and application of the corrosion inhibitor known as benzimidazolone, specifically 1-(cyclohex-1-enyl)-1,3-dihydro-2H-benzimiazol-2-one (CHBI). The structure of CHBI was determined by X-ray diffraction (XRD). The inhibitory properties of CHBI were investigated in a 3.5 wt.% NaCl solution on pure copper using various electrochemical techniques such as potentiodynamic polarization curves (PDPs) and electrochemical impedance spectroscopy (EIS), as well as scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX), UV-visible spectroscopy, and theoretical calculations. The obtained results indicate that CHBI is an excellent inhibitor, exhibiting remarkable effectiveness with an inhibition rate of 86.49% at 10-3 M. To further confirm the extent of adsorption of the inhibitory molecule on the copper surface, density functional theory (DFT) and Monte Carlo (MC) simulation studies were conducted. The results of this study demonstrate the synthesis and characterization of CHBI as a corrosion inhibitor. The experimental and theoretical analyses provide valuable insights into the inhibitory performance of CHBI, indicating its strong adsorption on the copper surface.
RESUMEN
A facile chemical procedure was utilized to produce an effective peroxy-monosulfate (PMS) activator, namely ZnCo2O4/alginate. To enhance the degradation efficiency of Rhodamine B (RhB), a novel response surface methodology (RSM) based on the Box-Behnken Design (BBD) method was employed. Physical and chemical properties of each catalyst (ZnCo2O4 and ZnCo2O4/alginate) were characterized using several techniques, such as FTIR, TGA, XRD, SEM, and TEM. By employing BBD-RSM with a quadratic statistical model and ANOVA analysis, the optimal conditions for RhB decomposition were mathematically determined, based on four parameters including catalyst dose, PMS dose, RhB concentration, and reaction time. The optimal conditions were achieved at a PMS dose of 1 g l-1, a catalyst dose of 1 g l-1, a dye concentration of 25 mg l-1, and a time of 40 min, with a RhB decomposition efficacy of 98%. The ZnCo2O4/alginate catalyst displayed remarkable stability and reusability, as demonstrated by recycling tests. Additionally, quenching tests confirmed that SO4Ë-/OHË radicals played a crucial role in the RhB decomposition process.