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A new approach to determine and quantify structural units in silicate glasses using micro-reflectance Fourier-Transform infrared spectroscopy
-
Kim N. Dalby
und
Penelope L. King
Veröffentlicht/Copyright:
31. März 2015
Abstract
Eight silicate unit vibrational modes were identified in a suite of PbO-SiO2 glasses using micro-reflectance Fourier Transform infrared (μR-FTIR) spectra that were transformed using the Kramers- Kronig relation. The transformed FTIR spectra, in the 800-1200 cm-1 range, were deconvolved systematically into eight Voigt-shaped bands at centers that were predicted from the second derivative of the spectra. The area of the eight bands varied as a function of SiO2 content, and these trends were combined with theoretical constraints to identify and assign the bands to seven provisional silicate units: SiO44- (830 and 860 cm-1), Si2O76- (900 cm-1), Si6O1812- (950 cm-1), Si2O64- (980 cm-1), Si4O116- (1010 cm-1), Si2O52- (1050 cm-1), and SiO2 (1100 cm-1). The provisional units were then grouped according to their NBO/T values: NBO/T = 4 (SiO44-), NBO/T = 3 (Si2O76-), NBO/T = 2 (Si6O1812- and Si2O64-), NBO/T = 1 (Si4O116- and Si2O52-) and NBO/T = 0 (SiO2). The derived quantities of each NBO/T unit compare favorably with nuclear magnetic resonance data for PbO-SiO2 glasses reported in the literature. This new approach for determining glass structure is advantageous because it may be performed on small Fe-bearing samples with minimal preparation, and analyses are rapid and relatively inexpensive.
Received: 2005-8-31
Accepted: 2006-6-14
Published Online: 2015-3-31
Published in Print: 2006-11-1
© 2015 by Walter de Gruyter Berlin/Boston
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Artikel in diesem Heft
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- A rare garnet-tourmaline-sillimanite-biotite-ilmenite-quartz assemblage from the granulite-facies region of south-central Massachusetts
- Effects of natural radiation damage on back-scattered electron images of single crystals of minerals
- Thermal diffusivity of olivine-group minerals at high temperature
- Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)
- AXANES study of Cu speciation in high-temperature brines using synthetic fluid inclusions
- A new approach to determine and quantify structural units in silicate glasses using micro-reflectance Fourier-Transform infrared spectroscopy
- Titanium incorporation and VITi3+ -IVTi4+ charge transfer in synthetic diopside
- Hugoniot and impact-induced phase transition of magnesite
- Finite element modeling of elastic volume changes in fluid inclusions: Comparison with experiment
- Thermodynamics of mixing in pyrope-grossular, Mg3Al2Si3O12-Ca3Al2Si3O12, solid solution from lattice dynamics calculations and Monte Carlo simulations
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