The effect of small-molecule bio-relevant organic components at low concentration on the corrosion of commercially pure Mg and Mg-0.8Ca alloy: An overall perspective

Mei, Di; Lamaka, Sviatlana V.; Feiler, Christian; Zheludkevich, Mikhail L.

doi:10.1016/j.corsci.2019.03.039

Cited by 86 publications

(38 citation statements)

References 84 publications

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“…There are several approaches to protect magnesium from corrosion, including alloying and surface coatings 7,8 . Furthermore, the introduction of magnesium dissolution modulators [9][10][11][12][13] , chemical compounds that inhibit or promote magnesium corrosion, facilitates tuning of the corrosion rate to meet application-specific demands. The latter approach allows for tailored degradation rates of resolvable medical implants (e.g.…”

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confidence: 99%

A first-principles analysis of the charge transfer in magnesium corrosion

Würger

Feiler

Vonbun-Feldbauer

et al. 2020

Sci Rep

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Magnesium is the lightest structural engineering material and bears high potential to manufacture automotive components, medical implants and energy storage systems. However, the practical use of untreated magnesium alloys is restricted as they are prone to corrosion. An essential prerequisite for the control or prevention of the degradation process is a deeper understanding of the underlying corrosion mechanisms. Prior investigations of the formation of gaseous hydrogen during the corrosion of magnesium indicated that the predominant mechanism for this process follows the Volmer–Heyrovský rather than the previously assumed Volmer–Tafel pathway. However, the energetic and electronic states of both reaction paths as well as the charge state of dissolved magnesium have not been fully unraveled yet. In this study, density functional theory calculations were employed to determine these parameters for the Volmer, Tafel and Heyrovský steps to gain a comprehensive understanding of the major corrosion mechanisms responsible for the degradation of magnesium.

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confidence: 99%

A first-principles analysis of the charge transfer in magnesium corrosion

Würger

Feiler

Vonbun-Feldbauer

et al. 2020

Sci Rep

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“…259110-500 from Neubert-Glas, Germany) were used for these investigations. Water displaced by evolved hydrogen was automatically quantified (SKX series from OHAUS coupled with USB data logger OHAUS 30268984) and the data recorded for further processing using an in-house Python script 61 . A flask below the eudiometer was filled with a piece of the bulk Mg sample and 500 mL of electrolyte (0.5wt.% NaCl) without (reference) and with addition of a dissolution modulator.…”

Section: Corrosion Experimentsmentioning

confidence: 99%

“…Mg samples were also exposed to an electrolyte solution containing 0.05 M of dissolution modulator for 20 h with the initial pH being adjusted by NaOH/HCl to 6.8 ± 0.5 and the volume of evolved hydrogen quantified V Inh;H2 À Á . The testing time is considered to be sufficient as the hydrogen evolution rate is in a steady state after ∼10 h 21,61 . The impact of the modulator on the corrosion of magnesium is given by the inhibition efficiency according to the following equation: IEs for compounds with a carboxylic acid moiety were determined as the sodium salt in the hydrogen evolution experiments.…”

Section: Corrosion Experimentsmentioning

confidence: 99%

Exploring structure-property relationships in magnesium dissolution modulators

et al. 2021

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Small organic molecules that modulate the degradation behavior of Mg constitute benign and useful materials to modify the service environment of light metal materials for specific applications. The vast chemical space of potentially effective compounds can be explored by machine learning-based quantitative structure-property relationship models, accelerating the discovery of potent dissolution modulators. Here, we demonstrate how unsupervised clustering of a large number of potential Mg dissolution modulators by structural similarities and sketch-maps can predict their experimental performance using a kernel ridge regression model. We compare the prediction accuracy of this approach to that of a prior artificial neural networks study. We confirm the robustness of our data-driven model by blind prediction of the dissolution modulating performance of 10 untested compounds. Finally, a workflow is presented that facilitates the automated discovery of chemicals with desired dissolution modulating properties from a commercial database. We subsequently prove this concept by blind validation of five chemicals.

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“…The surface area of each sample was measured and varied between 15.6 to 17.5 cm 2 while the reaction flask of contained 500 ml of the constantly stirred electrolyte. The commercial eudiometers (Neubert-Glas, Germany) combined with an electronic balances were used for a continuous automated recording of the weight of water displaced by the evolved hydrogen [55]. The values of the inhibiting efficiency (IE, %) were calculated as follows:…”

Section: Hydrogen Evolution Measurementsmentioning

confidence: 99%

In situ surface film evolution during Mg aqueous corrosion in presence of selected carboxylates

et al. 2020

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Mechanisms of inhibition of Mg aqueous corrosion in presence of chloride by sodium salicylate (Sal), 2,5-pyridinedicarboxylate (PDC) and fumarate (Fum) were studied by in situ Raman spectroscopy, ATR-FTIR, GD-OES and hydrogen collection. In situ detected surface films were composed by Mg(OH) 2 nano-crystals and included inhibitors. All carboxylates significantly modified Mg(OH) 2 growth kinetics as well as pevented chloride incorporation in the film. Vibrational spectra of the surface films demonstrated specific interactions between the carboxylates and the surface: adsorption of Sal and Fum on the oxide/hydroxide, precipitation of coordination polymer by PDC, dissolution of iron inclusions via formation of iron-Sal soluble complexes. Highlights: Carboxylates modify kinetics of Mg(OH) 2 film growth on Mg during aqueous corrosion;  Mg(OH) 2 nano-crystals formed in inhibitors solutions limit Claccess to Mg surface;  Salicylate adsorbs chemically on Mg(OH) 2 , dissolves Fe-containing inclusions;  2,5-pyridinedicarboxylate precipitates in the form of coordination polymer;  Inhibition by fumarate seems to be due to adsorption via carboxylate group.

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The effect of small-molecule bio-relevant organic components at low concentration on the corrosion of commercially pure Mg and Mg-0.8Ca alloy: An overall perspective

Cited by 86 publications

References 84 publications

A first-principles analysis of the charge transfer in magnesium corrosion

A first-principles analysis of the charge transfer in magnesium corrosion

Exploring structure-property relationships in magnesium dissolution modulators

In situ surface film evolution during Mg aqueous corrosion in presence of selected carboxylates

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