Electrochemical Investigation of C-Steel Corrosion Inhibition, In Silico, and Sulfate-Reducing Bacteria Investigations Using Pyrazole Derivatives

Abstract

The inhibitory impact of the two synthesized pyrazole derivatives (3 and 4) toward metallic and microbial corrosion was investigated. Using open circuit potential, potentiodynamic polarization, and electrochemical impedance spectroscopy, it was possible to determine their ability to prevent the corrosion of C-steel in 1 M HCl, which was significantly enhanced with increasing concentration (ex. 93%). They act as mixed-type inhibitors, according to polarization curves. The compounds under investigation were adsorbed on a C-steel surface in 1 M HCl following the Langmuir isotherm model. The double-layer capacitance was decreased, and the charge transfer resistance (R ct) was raised due to the examined inhibitors’ adsorption. Investigating changes in the surface morphology and confirming the corrosion inhibition mechanism are done using scanning electron microscopy. Density functional theory calculations and Monte Carlo simulations were also conducted to show the adsorption affinity of the understudied compounds over the steel substrate in neutral and protonated forms. Furthermore, the antimicrobial performance of the two synthesized pyrazoles against sulfate-reducing bacteria was evaluated, and the recorded inhibition efficiency was 100%. The current research shows important developments in producing highly effective anticorrosion and antimicrobial pyrazole derivatives.

Origanum Grosii Extracts as Novel Eco‐Friendly Corrosion Inhibitors for Mild Steel In HCl Medium

“…Furthermore, the strong correlation between the η parameter and ΔE has been previously established in relevant research. [64][65][66][67] As a result, the molecule M-OgW (with low-values of ΔE and η) tend to react spontaneously with atoms at the metal surface (with nil value of hardness) than the molecule M-OgE, [68] this confirms the good inhibitory action of OgW. Table 7 shows also that M-OgE (χ = 3.9047) is more electronegative than that of M-OgW (χ = 3.4425).…”

“…These calculations aim to demonstrate the donor‐acceptor activities of these molecules, and the comparative analysis reveals that the η value of M‐OgW is lower than that of M‐OgE . In general, soft molecules with a small Δ E are more reactive than hard molecules, as they can easily transfer electrons to acceptors [64] . For effective electron transfer, adsorption is likely to occur at the part of the molecule where σ exhibits the highest.…”

“…In general, soft molecules with a small ΔE are more reactive than hard molecules, as they can easily transfer electrons to acceptors. [64] For effective electron transfer, adsorption is likely to occur at the part of the molecule where σ exhibits the highest. Furthermore, the strong correlation between the η parameter and ΔE has been previously established in relevant research.…”

Adsorption and Inhibition Mechanisms of New Pyrazole Derivatives for Carbon Steel Corrosion in Hydrochloric Acid Solutions Based on Experimental, Computational, and Theoretical Calculations

“…The inhibitory efficacy utilizing EIS was calculated using the formula shown in ref normalI E normalE normalI normalS ( % ) = R p ( i n h i b ) − R p R p ( i n h i b ) × 100 …”

Phenol-Formaldehyde/Pyrazole Composite: Synthesis, Characterization, and Evaluation of its Chromate Removal Efficiency

“…The temperature was gradually raised from 100 to 150 °C during this phase . It is noteworthy that our prior methodology, as documented in refs − , was employed to synthesize the specified chemical, pyrazole (PYZ).…”