Deep-UV Raman spectroscopic analysis of structure and dissolution rates of silica-rich sodium borosilicate glasses

Windisch, Charles F.; Pierce, Eric M.; Burton, Sarah D.; Bovaird, Chase C.

doi:10.1016/j.jnoncrysol.2011.02.046

Cited by 24 publications

(13 citation statements)

References 20 publications

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“…Windisch et al . demonstrated that Na borosilicate glass with slightly different bulk chemical compositions can have very different glass dissolution rates.…”

Section: Molecular Dynamics Simulations Of Multicomponent Glassesmentioning

confidence: 99%

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Modeling Interfacial Glass‐Water Reactions: Recent Advances and Current Limitations

Pierce

Frugier

Criscenti

et al. 2014

Int J of Appl Glass Sci

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Describing the reactions that occur at the glass-water interface and control the development of the altered layer constitutes one of the main scientific challenges impeding existing models from providing accurate radionuclide release estimates. Radionuclide release estimates are a critical component of the safety basis for geologic repositories. The altered layer (i.e., amorphous hydrated surface layer and crystalline reaction products) represents a complex region, both physically and chemically, sandwiched between two distinct boundaries-pristine glass surface at the inner most interface and aqueous solution at the outer most interface. Computational models, spanning different length and timescales, are currently being developed to improve our understanding of this complex and dynamic process with the goal of accurately describing the mesoscale changes that occur as the system evolves. These modeling approaches include geochemical simulations (i.e., classical reaction path simulations and glass reactivity in allowance for alteration layer simulations), Monte Carlo simulations, and molecular dynamics methods. Discussed in this manuscript are the advances and limitations of each modeling approach placed in the context of the glass-water reaction and how collectively these approaches provide insights into the mechanisms that control the formation and evolution of altered layers. New results are presented as examples of each approach.

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“…Windisch et al . demonstrated that Na borosilicate glass with slightly different bulk chemical compositions can have very different glass dissolution rates.…”

Section: Molecular Dynamics Simulations Of Multicomponent Glassesmentioning

confidence: 99%

“…Windisch et al 83 demonstrated that Na borosilicate glass with slightly different bulk chemical compositions can have very different glass dissolution rates. For two bulk chemical compositions of (R = 1, K = 6) vs (R = 1, K = 4.7), dissolution rates differ by a factor of 100.…”

Section: Molecular Dynamics Simulations Of Multicomponent Glassesmentioning

confidence: 99%

Modeling Interfacial Glass‐Water Reactions: Recent Advances and Current Limitations

Pierce

Frugier

Criscenti

et al. 2014

Int J of Appl Glass Sci

Self Cite

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“…Finally, there is a strong increase with the alpha decay dose of the 1070 cm -1 band intensity. This band is usually attributed in borosilicate (Parkinson et al, 2008, Windisch et al, 2011, Peuget et al, 2013 glasses to the stretching vibration of the Si-O bonds in SiO 4 tetrahedra with three bridging oxygen atoms (Q3 band). It traduced a modification of the connectivity of silica tetrahedra.…”

Section: Evolution the Glass Structurementioning

confidence: 99%

Alpha Decays Impact on Nuclear Glass Structure

Peuget

Mendoza

Maugeri

et al. 2014

Procedia Materials Science

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“…Due to the varying applications, many studies have been conducted to understand how the molar mass of each component affects the ternary glass structure. These studies include several spectroscopic techniques such as Raman [1][2][3], Infrared [4], NMR [5,6] …. Moreover, NMR measurements permit quantitative structural information by employing 11 B NMR [7][8][9][10] and 29 Si NMR [11].…”

Section: Introductionmentioning

confidence: 99%

SiO2–Na2O–B2O3 density: A comparison of experiments, simulations, and theory

Barlet

Kerrache

Delaye

et al. 2013

Journal of Non-Crystalline Solids

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International audienceThis paper is devoted to a comparison of experimental, simulation, and theoretical results on the density of SiO 2 – B 2 O 3 –Na 2 O glasses. It is found that theoretical and simulation densities do compare favorably with experimental values yet simulations give a better estimate of the density of the samples. Furthermore, the structural make-up (i.e. types of borate and silicate units) of the ternary glasses and the volume of the elementary units have also been investigated with simulations and compared to theory

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Deep-UV Raman spectroscopic analysis of structure and dissolution rates of silica-rich sodium borosilicate glasses

Cited by 24 publications

References 20 publications

Modeling Interfacial Glass‐Water Reactions: Recent Advances and Current Limitations

Modeling Interfacial Glass‐Water Reactions: Recent Advances and Current Limitations

Alpha Decays Impact on Nuclear Glass Structure

SiO2–Na2O–B2O3 density: A comparison of experiments, simulations, and theory

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