Speciation and polymerization in a barium silicate glass: Evidence from Si-29 NMR and Raman spectroscopies
Moulton BJA, Silva LD, Doerenkamp C, Lozano H, Zanotto ED, Eckert H, Pizani PS (2021)
Publication Type: Journal article
Publication year: 2021
Journal
Book Volume: 586
DOI: 10.1016/j.chemgeo.2021.120611
Abstract
Raman and NMR spectroscopies have long been employed in pursuing quantitative relationships between polymerization of silicate glasses and melts. However, varying assumptions and ambiguities have often meant structural models vary significantly depending on the probe used. This study investigates a 40BaO center dot 60SiO(2) glass to determine its polymerization using static and MAS Si-29 NMR, and Raman spectroscopies to construct a coherent structural interpretation. The challenges and advantages of each technique are discussed as the structural model of 40BaO-60SiO(2) glass required partial evidence derived from each of these spectroscopies. The Raman scattering cross sections for Q(2) and Q(3) were found to be 0.85 and 1.22, respectively. The Q(n) distribution was shown to be 3, 35, 57, 6% (+/- 4%) for Q(1) to Q(4), respectively. This distribution yields a polymerization consistent with the stoichiometry, Ba0.66SiO2.66, having a O:Si ratio of 2.66. The agreement between all Q(n) distributions, the composition, the polymerization, and equilibrium constants strongly indicate that this structural interpretation is robust.
Authors with CRIS profile
Involved external institutions
University of São Paulo / Universidade de São Paulo (USP)
Brazil (BR)
Universidade Federal de São Carlos (UFSCar) / Federal University of São Carlos
Brazil (BR)
Brazil (BR)
Universidade Federal de São Carlos (UFSCar) / Federal University of São Carlos
Brazil (BR)
How to cite
APA:
Moulton, B.J.A., Silva, L.D., Doerenkamp, C., Lozano, H., Zanotto, E.D., Eckert, H., & Pizani, P.S. (2021). Speciation and polymerization in a barium silicate glass: Evidence from Si-29 NMR and Raman spectroscopies. Chemical Geology, 586. https://dx.doi.org/10.1016/j.chemgeo.2021.120611
MLA:
Moulton, Benjamin J. A., et al. "Speciation and polymerization in a barium silicate glass: Evidence from Si-29 NMR and Raman spectroscopies." Chemical Geology 586 (2021).
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