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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Hughes, Tony
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (19/19 displayed)
- 2024Interpretation of Complex X-ray Photoelectron Peak Shapes Part II: Case Study of Fe 2p3/2 fitting applied to Austenitic Stainless Steels 316 and 304.citations
- 2023Electrochemical and Surface Characterisation of Carbon Steel Exposed to Mixed Ce and Iodide Electrolytes
- 20203D characterization of material compositions with data-constrained modelling and quantitative X-ray CT
- 2018An examination of the composition and microstructure of coarse intermetallic particles in AA2099-T8, including Li detectioncitations
- 2017Probing corrosion initiation at interfacial nanostructures of AA2024-T3citations
- 2016Defect density associated with constituent particles in AA2024-T3 and its role in corrosioncitations
- 2016Using high throughput experimental data and in silico models to discover alternatives to toxic chromate corrosion inhibitorscitations
- 2016A closer look at constituent induced localised corrosion in Al-Cu-Mg alloyscitations
- 2015The influence of rare earth mercaptoacetate on the initiation of corrosion on AA2024-T3 Part II: The influence of intermetallic compositions within heavily attacked sitescitations
- 2015The influence of rare earth mercaptoacetate on the initiation of corrosion on AA2024-T3 Part I: Average statistics of each intermetallic compositioncitations
- 2014Towards chromate-free corrosion inhibitors: structure property models for organic alternativescitations
- 2014Microstructure characterisation and reconstruction of intermetallic particlescitations
- 2013A consistent description of intermetallic particle composition: An analysis of ten batches of AA2024-T3citations
- 2013Investigation into the influence of carbon contamination on the corrosion behavior of aluminum microelectrodes and AA2024-T3citations
- 2012A combinatorial matrix of rare earth chloride mixtures as corrosion inhibitors of AA2024-T3: Optimisation using potentiodynamic polarisation and EIScitations
- 2012FIB/SEM study of AA2024 corrosion under a seawater drop. Part IIcitations
- 2011Self-healing anticorrosive organic coating based on an encapsulated water reactive silyl ester: Synthesis and proof of concept
- 2011FIB/SEM study of AA2024 corrosion under a seawater drop: Part Icitations
- 2010Combining green self-healing coatings for metal protectioncitations
Places of action
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article
Towards chromate-free corrosion inhibitors: structure property models for organic alternatives
Abstract
The impending ban on the chromate based corrosion inhibitors, which are currently used to protect the 2000 and 7000 series of aluminium aerospace alloys, presents serious challenges. The most important of these are the lack of non-toxic substitutive alternatives that offer comparable performance, and the complex composition of the aerospace alloy itself. We used computational modelling methods to investigate the properties of small organic, potentially benign inhibitors and their interactions with technologically relevant alloy surfaces. We generated robust and predictive computational models of corrosion inhibition for the well-known Harvey data set of 28 organic compounds. These studies correlated molecular features of the inhibitor molecules with inhibition and identified those that have the greatest impact on experimentally determined corrosion inhibition. This information can be used to drive future decision making for in silico or experimental screening of molecules for their corrosion inhibition efficiency.