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http://dx.doi.org/10.22807/KJMP.2021.34.3.157

Effect of Lead Content on Atomic Structures of Pb-bearing Sodium Silicate Glasses: A View from 29Si NMR Spectroscopy  

Lee, Seoyoung (School of Earth and Environmental Sciences, Seoul National University)
Lee, Sung Keun (School of Earth and Environmental Sciences, Seoul National University)
Publication Information
Korean Journal of Mineralogy and Petrology / v.34, no.3, 2021 , pp. 157-167 More about this Journal
Abstract
Lead (Pb) is one of the key trace elements, exhibiting a peculiar partitioning behavior into silicate melts in contact with minerals. Partitioning behaviors of Pb between silicate mineral and melt have been known to depend on melt composition and thus, the atomic structures of corresponding silicate liquids. Despite the importance, detailed structural studies of Pb-bearing silicate melts are still lacking due to experimental difficulties. Here, we explored the effect of lead content on the atomic structures, particularly the evolution of silicate networks in Pb-bearing sodium metasilicate ([(PbO)x(Na2O)1-x]·SiO2) glasses as a model system for trace metal bearing natural silicate melts, using 29Si solid-state nuclear magnetic resonance (NMR) spectroscopy. As the PbO content increases, the 29Si peak widths increase, and the maximum peak positions shift from -76.2, -77.8, -80.3, -81.5, -84.6, to -87.7 ppm with increasing PbO contents of 0, 0.25, 0.5, 0.67, 0.86, and 1, respectively. The 29Si MAS NMR spectra for the glasses were simulated with Gaussian functions for Qn species (SiO4 tetrahedra with n BOs) for providing quantitative resolution. The simulation results reveal the evolution of each Qn species with varying PbO content. Na-endmember Na2SiO3 glass consists of predominant Q2 species together with equal proportions of Q1 and Q3. As Pb replaces Na, the fraction of Q2 species tends to decrease, while those for Q1 and Q3 species increase indicating an increase in disproportionation among Qn species. Simulation results on the 29Si NMR spectrum showed increases in structural disorder and chemical disorder as evidenced by an increase in disproportionation factor with an increase in average cation field strengths of the network modifying cations. Changes in the topological and configurational disorder of the model silicate melt by Pb imply an intrinsic origin of macroscopic properties such as element partitioning behavior.
Keywords
Lead sodium silicate glasses; solid-state NMR spectroscopy; $^{29}Si$ MAS NMR; atomic structure; degree of disorder;
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