Modelling the sulfate capacity of simulated radioactive waste borosilicate glasses

BINGHAM, Paul, VAISHNAV, Shuchi, FORDER, Sue, SCRIMSHIRE, Alex, JAGANATHAN, Balaasaran, ROHINI, Jiji, MARRA, James, FOX, Kevin, PIERCE, Eric, WORKMAN, Phyllis and VIENNA, John (2017). Modelling the sulfate capacity of simulated radioactive waste borosilicate glasses. Journal of Alloys and Compounds, 695, 656-667.

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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Link to published version:: 10.1016/j.jallcom.2016.11.110

Abstract

The capacity of simulated high-level radioactive waste borosilicate glasses to incorporate sulfate has been studied as a function of glass composition. Combined Raman, 57Fe Mössbauer and literature evidence supports the attribution of coordination numbers and oxidation states of constituent cations for the purposes of modelling, and results confirm the validity of correlating sulfate incorporation in multicomponent borosilicate radioactive waste glasses with different models. A strong compositional dependency is observed and this can be described by an inverse linear relationship between incorporated sulfate (mol% SO42−) and total cation field strength index of the glass, Σ(z/a2), with a high goodness-of-fit (R2 ≈ 0.950). Similar relationships are also obtained if theoretical optical basicity, Λth (R2 ≈ 0.930) or non-bridging oxygen per tetrahedron ratio, NBO/T (R2 ≈ 0.919), are used. Results support the application of these models, and in particular Σ(z/a2), as predictive tools to aid the development of new glass compositions with enhanced sulfate capacities.

Item Type: Article
Research Institute, Centre or Group: Materials and Engineering Research Institute > Engineering Research
Departments: Arts, Computing, Engineering and Sciences > Engineering and Mathematics
Identification Number: 10.1016/j.jallcom.2016.11.110
Depositing User: Paul Bingham
Date Deposited: 28 Nov 2016 12:02
Last Modified: 10 Nov 2017 04:19
URI: http://shura.shu.ac.uk/id/eprint/13996

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