Quantitative measurement of Q3 species in silicate and borosilicate glasses using Raman spectroscopy

Parkinson, B. G.; Holland, Diane; Smith, Mark E.; Larson, C. W.; Doerr, Jonas M.; Affatigato, Mario; Feller, Steven A.; Howes, A. P.; Scales, Charlie R.

doi:10.1016/j.jnoncrysol.2007.06.105

Cited by 114 publications

(106 citation statements)

References 20 publications

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“…7,39,40) There is another band at about 1 050 cm -1 , which could be assigned to stretching with NBO/Si=1 and referred to as Q 3 species in a sheet structure. according to McMillan 40,41) and Parkinson et al 42) While Mysen et al [43][44][45] suggested that this band could be also due to Si-O 0 stretch vibration in structure units (but not necessarily residing in fully polymerized structural units) or alternatively to a vibration in structure units associated with the metal cation.…”

Section: (A)-5(c) the Summary Of Deconvolution Results Is Listed Inmentioning

confidence: 98%

“…According to Mysen et al 14) and McMillan, 40) the band centered at about 970 cm -1 is due to stretching with NBO/Si=2 (NBO is the non-bridging oxygen) and is referred to as Q 2 species in a chain structure. [39][40][41][42] Bands centered at about 870 and 910 cm -1 is assigned to Q 0 in monomer structure and Q 1 in dimmer structure respectively. 7,39,40) There is another band at about 1 050 cm -1 , which could be assigned to stretching with NBO/Si=1 and referred to as Q 3 species in a sheet structure.…”

Section: (A)-5(c) the Summary Of Deconvolution Results Is Listed Inmentioning

confidence: 99%

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Structural Study of Glassy CaO–SiO2–CaF2–TiO2 Slags by Raman Spectroscopy and MAS-NMR

Shu

Chou

2014

ISIJ Int.

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During the production of titanium stabilized stainless steel, as titanium in steel has a tendency to reacting with SiO2 in mould fluxes to generate TiO2 into mould fluxes and mould powder can inevitably pick up Ti-bearing inclusions floating up from steel, TiO2 content in the molten mould fluxes gradually increases so that physiochemical properties of the fluxes change. To evaluate the effect of TiO2 increase in mould fluxes on the structure of the mould flux, the glassy slag system CaO-SiO2-CaF2-TiO2 for stainless steel casting fluxes was studied by combining Raman spectroscopy with 29 in tetrahedral coordination, which cannot change the degree of polymerization of the silicate network. A small amount of Ti enters into the silicate network as the role of network formation, which slightly enhances the degree of polymerization of the silicate network. According to 19 F MAS-NMR spectra, most of the fluorine is exclusively coordinated by Ca 2+ corresponding to F-Ca(n) site and only a few Si-F bonds were observed in samples. Increase of TiO2 content has no significant effects on the F-bonds.

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Section: (A)-5(c) the Summary Of Deconvolution Results Is Listed Inmentioning

confidence: 98%

Section: (A)-5(c) the Summary Of Deconvolution Results Is Listed Inmentioning

confidence: 99%

Structural Study of Glassy CaO–SiO2–CaF2–TiO2 Slags by Raman Spectroscopy and MAS-NMR

Shu

Chou

2014

ISIJ Int.

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“…a Q 3 structure. Parkinson et al (2008) reports this band at 1060 cm -1 in a series of borosilicate glasses with higher B content and, generally in silicates the corresponding mode is closer to 1100 cm -1 (Parkinson et al 2008, Brawer andWhite 1977). A recent study by Lenoir et al (2008) reports Q 3 at 1087 cm -1 for a glass with composition close to RD67.…”

Section: Raman Analysis Resultsmentioning

confidence: 93%

Integrated Disposal Facility FY2011 Glass Testing Summary Report

Pierce¹,

Bacon²,

Kerisit³

et al. 2011

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Executive SummaryPacific Northwest National Laboratory was contracted by Washington River Protection Solutions, LLC to provide the technical basis for estimating radionuclide release from the engineered portion of the disposal facility (e.g., source term). Vitrifying the low-activity waste at Hanford is expected to generate over 1.6 × 10 5 m 3 of glass (Puigh 1999). The volume of immobilized low-activity waste (ILAW) at Hanford is the largest in the DOE complex and is one of the largest inventories (approximately 0.89 × 10 18 Bq total activity) of long-lived radionuclides, principally 99 Tc (t 1/2 = 2.1 × 10 5 ), planned for disposal in a low-level waste (LLW) facility. Before the ILAW can be disposed, DOE must conduct a performance assessement (PA) for the Integrated Disposal Facility (IDF) that describes the long-term impacts of the disposal facility on public health and environmental resources. As part of the ILAW glass testing program PNNL is implementing a strategy, consisting of experimentation and modeling, in order to provide the technical basis for estimating radionuclide release from the glass waste form in support of future IDF PAs. The purpose of this report is to summarize the progress made in fiscal year (FY) 2010 toward implementing the strategy with the goal of developing an understanding of the long-term corrosion behavior of low-activity waste glasses.The emphasis in FY2010 was the completing an evaluation of the most sensitive kinetic rate law parameters used to predict glass weathering, documented in Bacon and Pierce (2010), and transitioning from the use of the Subsurface Transport Over Reactive Multi-phases to Subsurface Transport Over Multiple Phases computer code for near-field calculations. The FY2010 activities also consisted of developing a Monte Carlo and Geochemical Modeling framework that links glass composition to alteration phase formation by 1) determining the structure of unreacted and reacted glasses for use as input information into Monte Carlo calculations, 2) compiling the solution data and alteration phases identified from accelerated weathering tests conducted with ILAW glass by PNNL and Viteous State Laboratory/Catholic University of America as well as other literature sources for use in geochemical modeling calculations, and 3) conducting several initial calculations on glasses that contain the four major components of ILAW

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“…4) This band position change also has the linear relationship with fictive temperature like density and refractive index in the glass transition region over a range of 100 K.…”

Section: )6)mentioning

confidence: 85%

“…So it is possible to estimate the non-bonding oxides ratio via curve separation technique of Raman spectrum around 1100 cm ¹1 . 4) In addition, for soda-lime-silicate glass, the relationship between the peak position of Raman spectrum and fictive temperature was studied. 5) For more complicated glasses, there are not many studies about Raman spectra, because it is difficult to assign their bands.…”

Section: Introductionmentioning

confidence: 99%

Structural relaxation of dense crown optical glass and soda-lime-silicate glass via Raman spectroscopy

Fukuda

Matsuoka

2013

J. Ceram. Soc. Japan

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Fictive temperature dependence of refractive index, density, and Raman spectra of commercial dense crown optical glass widely used for lens production is investigated. It is found that the main peak in Raman spectra shifts higher with increasing the fictive temperature. As well as density and refractive index, this peak position has linear relationship with the fictive temperature. Relaxation of Raman spectra is similar with that of refractive index, and they are different from that of density. For the comparison, one commercial soda-lime-silicate glass is investigated as well as dense crown optical glass. Raman spectrum of this glass shifts lower as the fictive temperature. The difference between each relaxation time is less than that of dense crown optical glass.

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Quantitative measurement of Q3 species in silicate and borosilicate glasses using Raman spectroscopy

Cited by 114 publications

References 20 publications

Structural Study of Glassy CaO–SiO2–CaF2–TiO2 Slags by Raman Spectroscopy and MAS-NMR

Structural Study of Glassy CaO–SiO2–CaF2–TiO2 Slags by Raman Spectroscopy and MAS-NMR

Integrated Disposal Facility FY2011 Glass Testing Summary Report

Structural relaxation of dense crown optical glass and soda-lime-silicate glass via Raman spectroscopy

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