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2002
DOI: 10.1111/j.1151-2916.2002.tb00552.x
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Thermochemical Modeling of Oxide Glasses

Abstract: A modified associate species approach is used to model the liquid phase in oxide systems. The relatively simple technique treats oxide liquids as solutions of end‐member and associate species. The model is extended to representing glasses by treating them as undercooled liquids. Equilibrium calculations using the model allow the determination of species activities, phase separation, precipitation of crystalline phases, and volatilization. In support of nuclear waste glass development, a model of the Na2O–Al2O3… Show more

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Cited by 100 publications
(89 citation statements)
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References 9 publications
(17 reference statements)
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“…This is attributed to the fact that residual metals (Na, Ca, K, etc.) can generate ternary oxides such as Na 6 Si 8 O 19 and Na 2 Si 2 O 5 via reactions with silica (18,19) and can melt at ∼780°C (20,21). The use of HCl may not be a critical issue for the scaleup of the given synthetic procedure because HCl treatments have been well adopted in various industrial productions (22,23).…”
Section: Resultsmentioning
confidence: 99%
“…This is attributed to the fact that residual metals (Na, Ca, K, etc.) can generate ternary oxides such as Na 6 Si 8 O 19 and Na 2 Si 2 O 5 via reactions with silica (18,19) and can melt at ∼780°C (20,21). The use of HCl may not be a critical issue for the scaleup of the given synthetic procedure because HCl treatments have been well adopted in various industrial productions (22,23).…”
Section: Resultsmentioning
confidence: 99%
“…For example, a liquid CaSiO 3 (l) species is ideally mixed with endmember CaO (l) and SiO 2 (l) to represent the liquid phase in the CaO-SiO 2 binary system. While CaSiO 3 (l) may not exist as a chemical entity that can be isolated and characterized, this species in the model can accurately represent the negative interaction energy that occurs between calcium and silica in oxide liquid solution [14].…”
Section: Thermodynamic Calculationsmentioning
confidence: 99%
“…G exs is the excess Gibbs energy, and expressed by the Redlich-Kister polynomial [14,18], where L is the binary interaction parameter that has been optimized by several workers [14,18,19]. The temperature dependence of L may be expressed as…”
Section: Thermodynamic Calculationsmentioning
confidence: 99%
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