Electrochemical, XPS and theoretical examination on the corrosion inhibition efficacy of stainless steel via novel imidazolium ionic liquids in acidic solution

Structural and Adsorptive Characteristics of 2D Multilayer Nanoflakes of NiCo Phosphates for Chromium(VI) Removal: Experimental and Monte Carlo Simulations

“…MC simulations were carried out to study the adsorption between the Cr­(VI) ions and the NiCo-Ph surface. Figure therefore shows the highest proper adsorption arrangements for the Cr­(VI) ions on the NiCo-Ph surface achieved using the adsorption locator module . Furthermore, the attained outcomes from the MC simulations are shown in Table such as the adsorption energy for relaxed adsorbate molecules, rigid adsorption energy for unrelaxed adsorbate molecules, and deformation energy for relaxed adsorbate molecules …”

“…Figure 10 therefore shows the highest proper adsorption arrangements for the Cr(VI) ions on the NiCo-Ph surface achieved using the adsorption locator module. 52 Furthermore, the attained outcomes from the MC simulations are shown in Table 3 such as the adsorption energy for relaxed adsorbate molecules, rigid adsorption energy for unrelaxed adsorbate molecules, and deformation energy for relaxed adsorbate molecules. 53 Table 3 divulges that Cr(VI) (−911.62 kcal mol –1 ) has a higher negative value of adsorption energy in acidic medium in comparison with the value of Cr (VI) in basic or neutral medium, which confirms the powerful adsorption of Cr(VI) ions on the NiCo-Ph surface in acidic medium.…”

Synthesis and characterization of novel dicarbohydrazide derivatives with electrochemical and theoretical approaches as potential corrosion inhibitors for N80 steel in a 3.5% NaCl solution

“…This was achieved by the adsorption locator module that presents the smooth disposition, and suggests an improvement in the adsorption with the highest surface coverage. 98 Moreover, Table 10 summarizes the calculations from the Monte Carlo simulations. The table lists the adsorption energies for relaxed adsorbate compounds, rigid adsorption energies for unrelaxed adsorbate compounds, and deformation energies for relaxed adsorbate compounds.…”

Inhibition Mechanism of Some Vinylalkylimidazolium-Based Polymeric Ionic Liquids against Acid Corrosion of API 5L X60 Steel: Electrochemical and Surface Studies

“…The N 1s spectrum of the sample evaluated in the presence of PILs (Figure ) reveals the presence of the >CNH + – species at 401.6–402.0 eV. These peaks are attributed to the presence of the imidazolium ring of PILs. ,, The N–H and/or N–Fe bond(s) detected at 399.9 eV ,− is associated with the presence of the amide group of the monomers in the three PILs and/or N–Fe coordination bond(s), respectively. The characteristic C 1s signals of the sample are observed in Figure .…”

“…These corrosion products deposited on the metal surface occurred due to their interaction with O 2– , OH – , and SO 4 2– ions. 71 − 74 The signal at 532.9 eV also suggests the presence of C=O bonds. 75 The localized Fe 2p 3/2 and Fe 2p 1/2 peaks are shown in Figure 10 .…”