Synergistic effect of 2-mercaptobenzimidazole and octylphosphonic acid as corrosion inhibitors for copper and aluminium – An electrochemical, XPS, FTIR and DFT study

Kozlica, Dževad K.; Kokalj, Anton; Milošev, Ingrid

doi:10.1016/j.corsci.2020.109082

Cited by 147 publications

(76 citation statements)

References 118 publications

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“…From the available data, no Na + counter-ions were identified when Cl − anions are present in the inhibitor layer. [35][36][37] To further illuminate the question of whether Na + ions can be present in inhibitor layers, the results of the corresponding model calculations are presented below.…”

Section: Journal Of the Electrochemical Societymentioning

confidence: 99%

“…Note that Eqs. [37] and [38] are written in Hartree atomic units, hence the electrode potential has a unit of Hartree/e (1 Hartree/e = 27.21 V), where "e" is the unit charge. These equations reveal that, in addition to σ m , ∆E depends also on the SAM thickness w sam and this implies that at a given electrode potential the magnitude of the surface charge density is larger for thin SAMs (low w sam ) than for thick SAMs (high w sam ), because ∆E ∝ σ m w sam .…”

Section: Journal Of the Electrochemical Societymentioning

confidence: 99%

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Model Study of Penetration of Cl⁻ Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Kokalj

Costa

2021

J. Electrochem. Soc.

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Organic molecules that form self-assembled-monolayers on metal substrates may provide efficient corrosion protection. Herein we study how such self-assembled-monolayers hinder the penetration of Cl − ions from aqueous solution toward the metal substrate. We first elucidate some aspects that are relevant for modeling charged ions near surfaces with slab models that utilize periodic-boundary-conditions, in particular: (i) solvation effects, (ii) inter-ion electrostatics, (iii) depolarization effects, and (iv) effects of periodic-boundary-conditions along lateral directions and, for multi-slab models, also along the surface normal direction. The last two effects are artifacts hence they can be avoided or at least minimized by proper modeling. We further present a simple scheme that describes the activation barrier for Cl − penetration into self-assembled-monolayer as a function of the electrode potential and show that the activation barrier decreases as the electrode potential increases, as would be intuitively expected, however, for thick self-assembled-monolayers the barrier remains sizable even at rather positive potentials, which may be one of the reasons why dense and sufficiently thick self-assembled-monolayers can efficiently inhibit corrosion. By utilizing a simple model where metal substrate, organic layer, and aqueous solvent are described implicitly by dielectric continuum slabs, we analyze two important effects by which self-assembled-monolayers hinder the penetration of Cl − ions toward the metal substrate. The first effect is due to inferior solvation of ions in organic layer compared to that in aqueous solvent and the estimated difference is larger than 1 eV. This effect is independent of the thickness of the organic layer, provided that the layer is sufficiently thick (≳10 Å). The second effect is due to electric field at the electrochemical interface and the extent by which it affects the penetration of Cl − depends on the electrode potential and on the thickness of the organic layer. Other effects, such as local deformation of organic layer during Cl − penetration, cannot be described by current simple models and will be considered in our next publication. Finally, calculations indicate that due to stronger solvation of Na+ counter-ions their penetration into organic layer is inferior to that of Cl − . Energetically the most favorable way for Na+ to penetrate is in the form of Na+/ Cl − ion-pairs, but it is inferior to penetration of Cl − alone.

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Section: Journal Of the Electrochemical Societymentioning

confidence: 99%

Section: Journal Of the Electrochemical Societymentioning

confidence: 99%

Model Study of Penetration of Cl⁻ Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Kokalj

Costa

2021

J. Electrochem. Soc.

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“…In Figure 3 d, a narrow-range Al 2p XPS spectrum is shown. Fitting it with metallic and oxide/hydroxide components is an obvious choice, i.e., Al 2p components at 72.3 eV, corresponding to elementary aluminium, and 73.9 eV, corresponding to Al oxide or hydroxide [ 12 , 13 , 14 ], are thus obtained.…”

Section: Resultsmentioning

confidence: 99%

“…In addition, achieving a flawless surface treatment of the castings remains a great challenge for the metal foundry industry [ 1 ]. Dedicated studies aiming to improve the castability of Al–Si alloys [ 2 , 3 ], their mechanical properties [ 4 ], the properties of wear and friction [ 4 , 5 , 6 , 7 , 8 ], aging and fatigue behaviour [ 9 , 10 , 11 ], fouling and corrosion resistance [ 12 , 13 ], etc., are extensive and constantly ongoing.…”

Section: Introductionmentioning

confidence: 99%

Surface Stoichiometry and Roughness of a Degraded A380 Alloy after Casting, Technical Cleaning and Packaging

Petrovič

Mandrino

2021

Materials

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The surface stoichiometry of the degraded surface of a commercial Al–Si casting was investigated. The die-cast component was previously stored in a sealed plastic envelope. After that, surface stains in the form of white layers were observed. X-ray photoelectron spectroscopy (XPS) was used to study these layers. For comparison, a seemingly unaffected area as well as a freshly cut surface of the casting were also analysed. In order to additionally assess the surface condition, surface roughnesses were measured. Based on the binding energies (BEs) of the Al and O in the XPS spectra, and the stoichiometric results, it was concluded that the surface layers of the degraded and undegraded samples consist mostly of aluminium oxide and aluminium hydroxide. Furthermore, sodium phosphate from the leftover detergent and silicon oxide were detected in both analysed areas. Analyses of the Al KLL Auger transition were used to corroborate this. The relative shares of Al oxide vs. hydroxide based on the elemental concentrations were determined. The chemical compositions and chemical states of the elements in the top layers were thus obtained. The combination of surface-sensitive analytical techniques was found to be a suitable tool for the ex-post identification of the source of defects.

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“…2 For instance, azole derivatives, such as benzimidazoles, possess considerable corrosion inhibition ability due to the presence of heteroatom(s). 3,5 However, failure in their long-time stability has been observed. On the other hand, various metal complexes also possess excellent corrosion inhibition properties due to the exchange of electrons between the transition metal and inhibitor molecules, as shown recently by Zabula et al 4 Recently developed graphene oxide (GO) derivatives have been demonstrated to be excellent corrosion inhibition barriers due to their high surface area and the presence of versatile active functional groups on the surface.…”

Section: Introductionmentioning

confidence: 99%

Experimental and DFT studies of gadolinium decorated graphene oxide materials for their redox properties and as a corrosion inhibition barrier layer on Mg AZ13 alloy in a 3.5% NaCl environment

et al. 2021

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Synergistic effect of 2-mercaptobenzimidazole and octylphosphonic acid as corrosion inhibitors for copper and aluminium – An electrochemical, XPS, FTIR and DFT study

Cited by 147 publications

References 118 publications

Model Study of Penetration of Cl⁻ Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Model Study of Penetration of Cl⁻ Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Surface Stoichiometry and Roughness of a Degraded A380 Alloy after Casting, Technical Cleaning and Packaging

Experimental and DFT studies of gadolinium decorated graphene oxide materials for their redox properties and as a corrosion inhibition barrier layer on Mg AZ13 alloy in a 3.5% NaCl environment

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Synergistic effect of 2-mercaptobenzimidazole and octylphosphonic acid as corrosion inhibitors for copper and aluminium – An electrochemical, XPS, FTIR and DFT study

Cited by 147 publications

References 118 publications

Model Study of Penetration of Cl− Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Model Study of Penetration of Cl− Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Surface Stoichiometry and Roughness of a Degraded A380 Alloy after Casting, Technical Cleaning and Packaging

Experimental and DFT studies of gadolinium decorated graphene oxide materials for their redox properties and as a corrosion inhibition barrier layer on Mg AZ13 alloy in a 3.5% NaCl environment

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Product

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Model Study of Penetration of Cl⁻ Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects

Model Study of Penetration of Cl⁻ Ions from Solution into Organic Self-Assembled-Monolayer on Metal Substrate: Trends and Modeling Aspects