Nuclear Glass Durability: New Insight into Alteration Layer Properties

Gin, Stéṕhane; Guittonneau, Claire; Godon, N.; Neff, Delphine; Rébiscoul, Diane; Cabié, Martiane; Mostefaoui, S.

doi:10.1021/jp205477q

Cited by 120 publications

(144 citation statements)

References 75 publications

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“…3,4,12 The PRI has been identified as a barrier to water transport into the glass and solvated ions into the solution, resulting in transport inhibition effect on glass alteration. While evidence of PRI is limited, Gin et al 13 used nanoSIMS to identify a dense region 0.5 micron thick between the glass and gel regions, reported to be the first direct evidence of PRI from experiment. While analytical models are critical to developing an understanding of long-term glass dissolution model, atomistic simulations are also extremely powerful in highlighting the reaction mechanisms, structural, and compositional differences, which control dissolution at the small scale and have compounding effects on large scale systems over long time frames.…”

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confidence: 99%

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Rimsza

2017

npj Mater Degrad

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Computer simulations at the atomistic scale play an increasing important role in understanding the structure features, and the structure-property relationships of glass and amorphous materials. In this paper, we reviewed atomistic simulation methods ranging from first principles calculations and ab initio molecular dynamics (AIMD) simulations, to classical molecular dynamics (MD), and meso-scale kinetic Monte Carlo (KMC) simulations and their applications to study the reactions and interactions of inorganic glasses with water and the dissolution behaviors of inorganic glasses. Particularly, the use of these simulation methods in understanding the reaction mechanisms of water with oxide glasses, water-glass interfaces, hydrated porous silica gels formation, the structure and properties of multicomponent glasses, and microstructure evolution are reviewed. The advantages and disadvantageous of these simulation methods are discussed and the current challenges and future direction of atomistic simulations in glass dissolution presented.npj Materials Degradation (2017) 1:16 ; doi:10.1038/s41529-017-0017-yThe corrosion or degradation of glasses in aqueous solutions are critical in a number of engineering and technological processes ranging from microelectronic packaging, glass reaction chambers, and the immobilization of nuclear waste materials, as well as in healthcare and biomedical fields such as dissolution of inhaled glass fibers and bioactive glasses for biomedical applications. In particular, immobilizing radioactive waste in borosilicate glasses is widely accepted as a preferred method to treat nuclear waste materials generated from civilian and military sources. This process, also known as vitrification, is a critical component of the cycle of nuclear energy to combat global environmental and energy challenges. Researchers from around the world have extensively invested in understanding glass corrosion in an effort to predict the long-term stability and release rate radionuclides to the environment during nuclear waste storage. 1,2Various mechanisms for glass corrosion have been proposed and despite intensive experimental investigations with advanced characterization techniques results are unclear. It is generally accepted that the corrosion of glass consists of a set of complex processes including hydration, hydrolysis, and ion-exchange that are coupled during glass dissolution. The initial stage is interdiffusion of proton or hydronium ions from the solution with sodium or other alkali ions in the glass.3 This is followed by the hydrophilic attack of water on the Si-O-Si or Si-O-Al linkages that lead to hydroxylation of the silicate glass network. The remaining hydrolyzed glass skeleton then undergoes condensation and repolymerization to form the hydrated nanoporous silica rich gel layer which can be protective, decreasing dissolution to a residual rate. [4][5][6] The morphology of the gel layer, such as thickness, pore structure, and chemical composition, depends on the original glass composition and the pH...

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confidence: 99%

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Rimsza

2017

npj Mater Degrad

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“…Amorphous, gel type alteration layers between glass and secondary minerals are well described in literature of natural (basaltic and archeological) and synthetic (nuclear) glass alteration (Rebiscoul et al, 2004(Rebiscoul et al, , 2005Silvestri et al, 2005;Gin et al, 2011). One study concluded that dissolution of the glass is congruent and incongruence of contact layers is due to secondary mineral formation (Crovisier et al, 2003).…”

Section: Structure Of Alteration Featuresmentioning

confidence: 89%

Characterization of alteration textures in Cretaceous oceanic crust (pillow lava) from the N-Atlantic (DSDP Hole 418A) by spatially-resolved spectroscopy

Fliegel

Knowles

Wirth

et al. 2012

Geochimica et Cosmochimica Acta

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“…While this problem has been rectified to some extent by the recent publication of a study of a nuclear waste borosilicate glass SON68 leached in a granitic environment for 25 years Gin et al, 2011;Gin et al, 2013), there is still a need to validate corrosion models over longer time scales. One approach that has been taken is to study archaeological glasses, particularly where the environment within which they existed can be well constrained over time.…”

Section: Introductionmentioning

confidence: 99%

“…January, 2014 7 approximate mineralogical zoning, as well as the identity of the newly formed secondary phase smectite. This may be important in future studies, since the formation of new secondary silicate phases appears to be associated with an increase in the glass corrosion rate relative to the "residual" rate (Verney-Carron et al, 2008;Verney-Carron et al, 2010;Gin et al, 2011).…”

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confidence: 99%

Preliminary Simulation of the Corrosion Rate of Archaeological Glass

Steefel¹

2014

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Nuclear Glass Durability: New Insight into Alteration Layer Properties

Cited by 120 publications

References 75 publications

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Characterization of alteration textures in Cretaceous oceanic crust (pillow lava) from the N-Atlantic (DSDP Hole 418A) by spatially-resolved spectroscopy

Preliminary Simulation of the Corrosion Rate of Archaeological Glass

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