Electrochemical and theoretical studies of the interactions of a pyridyl-based corrosion inhibitor with iron clusters (Fe15, Fe30, Fe45, and Fe60)

Abstract

The capacity of 2,6-bis[((2-pyridylmethyl)oxy)methyl)]pyridine (BPMMP) to inhibit the corrosion of mild carbon steel in HCl was analyzed. In a polarization study, both the cathodic and anodic currents were appreciably decreased in the presence of BPMMP, suggesting that this ligand is effective at inhibiting corrosion at the metal surface. This conclusion is consistent with the results of impedance analysis, where only one time constant corresponding to one depressed capacitive loop was detected, and the diameter of the impedance plot was directly related to the concentration of BPMMP. Furthermore, when recurrence analysis was performed, a decrease in regular noise was observed due to the change of Shannon entropy when the inhibitor was present in the corrosive medium, showing that a high degree of recurrence increases the entropy of the system. Electrochemical data on some pyridyl-based inhibitors were collected from the literature and used to plot (i) I (A/cm) vs. inhibition efficiency (η%) and (ii) ΔG° vs. inhibition efficiency (ƞ%) in order to examine the general relationships between these parameters. Furthermore, the interactions of the ligand BPMMP with different iron clusters (Fe, Fe, Fe, and Fe) were analyzed theoretically using density functional theory (DFT). The structural and electronic properties of BPMMP and its protonated form BPMMPH were studied before and after the interactions of BPMMP with the iron clusters. The first protonation was found to occur at pyridine nitrogen atom N1, resulting in a Gibbs free energy ΔG of -10.2 kcal/mol, with an energy difference of 5.3 kcal/mol between the two possible protonated conformers. Graphical abstract Recurrence and Noise signal performance of BPMMP as corrosion inhibitor.

Chemically Exfoliated Titanium Carbide MXene for Highly Sensitive Electrochemical Sensors for Detection of 4-Nitrophenols in Drinking Water

“…With the low resistivity feature of Ti 3 C 2 T x compared to the GCE, the overall conductivity of the modified working electrode ( MXene /GCE) drastically increases, leading to a high electron transfer. This also demonstrates the role of MXene as a conducting platform for charge transport in addition to serving as an active material for electrochemical reduction of 4-NP. − Electrochemical analysis explicitly gives evidence that the chemically exfoliated Ti 3 C 2 T x MXene material is a highly desirable material for electrochemical reduction of 4-NP in the environment.…”

Detection and detoxification of imidacloprid in food samples through ionic liquid-stabilized CuNi alloy nanoparticle-decorated multiwall carbon nanotubes

“…46 Moreover, this lower R ct value of the CuNi/IL@MWCNT modified GCE turned the system to be kinetically favorable. 43,47 Furthermore, to verify the EIS data, the electrochemical properties of CuNi/IL@MWCNTs/GCE have been investigated using CV at a scan rate of 100 mV s −1 shown in Fig. 3(B).…”

Insights into the growth law, electronic properties and spectra of Fenλ (n = 3–18; λ = 0, ±1) clusters

“…To date, a portion of the experimental results have not been well understood. On the theoretical side, many investigations have also been carried out to predict the geometry and electronic structures of iron clusters [44–65]. Recently, Dai et al found that small iron clusters have good catalytic activity and the Fe 13 cluster has an abnormally small thermal expansion [63–65].…”

“…As one of the transition metals, iron is widely used in daily life and production, and has excellent properties in active agents, catalysts, and powder metallurgy. To further explore the physicochemical properties of iron substances, the iron clusters have been investigated both experimentally and theoretically [37–65]. On the experimental side, Nour et al reported the far‐infrared spectra of iron in Ar matrices at 12 K and the v 3 antisymmetric stretching frequencies of Fe 3 cluster was observed for the first time [37].…”