Multiscale modelling of the corrosion of metals under atmospheric corrosion

Cole, Ivan; Muster, Tim H.; Azmat, N. S.; Venkatraman, Murali Sankar; Cook, Anthony

doi:10.1016/j.electacta.2010.10.025

Cited by 65 publications

(34 citation statements)

References 23 publications

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“…Díaz and López 6 developed a deterministic model for the damage function of carbon steel expressed in terms of corrosion penetration as a function of environmental variables using an Artificial Neural Network (ANN) to fit the data. Cole et al 7 describe a multiscale (from global to micron) model for the prediction of atmospheric corrosion of zinc. The model is able to predict corrosion rates of metal components to enable appropriate material selection and to determine how microstructure and oxide development influence corrosion rates.…”

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confidence: 99%

GILDES Model Simulations of the Atmospheric Corrosion of Copper Induced by Low Concentrations of Carboxylic Acids

Gil

Leygraf

Tidblad

2011

J. Electrochem. Soc.

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A computer simulation with a GILDES-based model using the COMSOL multiphysics software was performed for copper exposed to low concentrations of carboxylic acids in humidified air at room temperature. GILDES is a six-regime computer model (Gas, the Interface between gas and liquid, the Liquid, the Deposition layer, the Electrodic region near the surface and the Solid). The simulations were compared to previously published in-situ results for copper at the same conditions analysed by a quartz crystal microbalance (QCM) and infrared reflection absorption spectroscopy (IRAS). Experimental and calculated results agree with each other with respect to the effect of corrosion, showing formic acid as the most aggressive followed by acetic and propionic acid. This is supported by a higher ligand-and proton-promoted dissolution found in formic acid exposures, followed by acetic and propionic exposures. Atmospheric corrosion models are an important tool for the society. By aiding in proper material selection they can improve the functionality and safety of the different structures as well as electronic devices exposed to the atmosphere at different climatic conditions. Models of corrosion have traditionally been developed based on statistical analyses of field data by applying simple physical/chemical arguments, for example by separating the effect of dry and wet deposition into individual additive terms.1 The corrosion rate is usually correlated to measured environmental factors. These classification schemes have a limited accuracy, one reason being the effect of micro-climate, which means that corrosion rates can vary dramatically between locations that are only meters apart.2 However, examples of models based on first principles are starting to emerge. Spence and Haynie 3 and Lyon et al. 4 studied the processes of oxide dissolution and formation, and the electrochemical processes within a droplet on a metal surface. Cole et al.5 evaluated the deposition of gases and aerosols both inside and outside museums and the resulting effects on corrosion of cultural objects using a holistic model. The study shows the relative importance of different deposition mechanisms within a building, such as gravity, vortex shedding and, in the case of significant air flows, momentumdominated impact. Díaz and López 6 developed a deterministic model for the damage function of carbon steel expressed in terms of corrosion penetration as a function of environmental variables using an Artificial Neural Network (ANN) to fit the data. Cole et al.7 describe a multiscale (from global to micron) model for the prediction of atmospheric corrosion of zinc. The model is able to predict corrosion rates of metal components to enable appropriate material selection and to determine how microstructure and oxide development influence corrosion rates. Farrow et al. 8 in 1996, applied the mentioned GILDES model to perform the first theoretical mechanistic study of the atmospheric corrosion of zinc in a controlled environment. The results show that, under such co...

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confidence: 99%

GILDES Model Simulations of the Atmospheric Corrosion of Copper Induced by Low Concentrations of Carboxylic Acids

Gil

Leygraf

Tidblad

2011

J. Electrochem. Soc.

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“…For larger droplets, a second spreading effect occurred around the salt droplets, 24 indicating a relatively strong cathodic activity caused by the Evans effect. 61 The central area served as anode (equation 4) while the secondary spreading area served as cathode (equation 3). 24,35,62 Zn → Zn 2+ + 2e…”

Section: Resultsmentioning

confidence: 99%

Aerosol Salt Particle Deposition on Metals Exposed to Marine Environments: A Study Related to Marine Atmospheric Corrosion

Hihara

2014

J. Electrochem. Soc.

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The characterization and corrosive effect of marine salt particles and seawater droplets that naturally deposited onto carbon steel and pure zinc that were exposed to marine test sites were studied. Most of the salt particles had diameters ranging from approximately 2-10 μm, and varied in their composition ranging from almost pure NaCl or KCl to mixtures of NaCl, KCl, CaCl 2 , and MgCl 2 . The differences in composition may depend on whether the seawater droplets dehydrate, crystallize, and fragment while airborne, or if they deposit as liquid droplets prior to crystallizing. The deposition of salt particles also decreased as the wind velocity decreased. The initial stage of marine atmospheric corrosion of the carbon steel and pure zinc induced by the salt deposition was also investigated. On the carbon steel substrate, NaCl-containing seawater droplets smaller than approximately 30 μm could not initiate corrosion even after 30 minutes of exposure; whereas, droplets larger than approximately 30 μm induced corrosion within approximately 30 minutes with lepidocrocite as the corrosion product. Corrosion initiated on the pure zinc samples under droplets of all sizes within 30 minutes. On the zinc samples, simonkollite formed in the central anodic region; whereas, hydrozincite formed in the peripheral cathodic region. Atmospheric corrosion has been extensively studied ever since W.H.J. Vernon's work in the 1920s. Its complexity is based on numerous influential parameters, including both meteorological and pollution parameters. Among these variables are the airborne sea salts in coastal regions (marine aerosols), which are generated either in the open sea or the surf zone.1-3 Marine aerosols consisting of wet aerosols, partially wet aerosols, and non-equilibrium aerosols depending on the atmosphere humidity, 4 are carried by the wind and can reach offshore structures and greatly accelerate the corrosion of metals. The sizes of the three types of aerosols and the resultant dry aerosols were estimated by Cole et al. 4 The amount of marine aerosols present in a specific marine atmosphere, known as airborne salinity, is usually measured in both atmospheric and corrosion studies. For corrosion studies, correlating marine salinity and metallic corrosion is a major focus. By compiling worldwide research on atmospheric corrosion that was conducted in the last 40 years, Morcillo et al. 5 reported that the metallic corrosion rate increases fastest with respect to chloride deposition when its values are between 100 and 400 mg Cl − /m 2 /day, and slower when the chloride deposition is less than 100 mg Cl − /m 2 /day or more than 400 mg Cl − /m 2 /day. Studies have also focused on the behavior of marine aerosols, including their production, transport and deposition. 1,6,7 Cole et al.1 proposed a comprehensive model that requires the input of significant amounts of data; whereas, Meira et al. 7 generated a simplified model that depends only on aerosol characteristics and has wind velocity and distance from the sea as independent va...

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“…Dealing with corrosion, several holistic multiscale models have been developed linking the behaviour of a given structure to the one of the surfaces involved in the corrosion processes (Cole et al 2011;Cole and Hughes 2014). Inspired from these approaches, models dealing with different kinds of alteration processes could try to describe and predict the behaviour of materials encountered in Cultural Heritage.…”

Section: Analyses At Nanometer Scalementioning

confidence: 99%

From Archaeological Sites to Nanoscale: The Quest of Tailored Analytical Strategy and Modelling

Bellot‐Gurlet

Dillmann

Neff

2016

Nanoscience and Cultural Heritage

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Last developments of nano probes allows scientists of Cultural Heritage to assess a new kind of information that is crucial in the different topics concerned by the field: determining ancient manufacturing processes, studying use and provenance of ancient artefacts, revealing the degradation processes and developing adapted cleaning and conservation treatments. Nevertheless to be useful, these nanoscale approaches must be integrated in a tailored multi-step analysis. The final aim of these approaches will be to reach understanding and/or reliable modelling of the behaviours of the ancient systems. A first part of this chapter will review the issues in Cultural Heritage and the nature of the physico-chemical data that can be collected on the systems. In a second part, a selection of examples dealing with nano characterisation in Cultural Heritage will allow us to present several up to date techniques and methodologies employed in Cultural Heritage science. Then, the third part of the chapter will review some of the different modelling attempts that where already made in the domain of Cultural Heritage, and that were based on the use of physico-chemical descriptions at different scales. The challenge for the next future will be, for different kind of materials and environments, to propose multiscale models from nano to functional scale. Some key steps to face these challenges bridging the gap between multiscale descriptive characterisation and numerical modelling are reviewed here.L. Bellot-Gurlet MONARIS "de la Molécule aux Nano-objets: Réactivité, Interactions et Spectroscopies", UMR 8233,

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Multiscale modelling of the corrosion of metals under atmospheric corrosion

Cited by 65 publications

References 23 publications

GILDES Model Simulations of the Atmospheric Corrosion of Copper Induced by Low Concentrations of Carboxylic Acids

GILDES Model Simulations of the Atmospheric Corrosion of Copper Induced by Low Concentrations of Carboxylic Acids

Aerosol Salt Particle Deposition on Metals Exposed to Marine Environments: A Study Related to Marine Atmospheric Corrosion

From Archaeological Sites to Nanoscale: The Quest of Tailored Analytical Strategy and Modelling

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