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Meeting MS&T21: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Energetics of K-,Ga- Titanate Hollandites
Author(s) Nancy Birkner, Mingyang Zhao , Kyle S. Brinkman
On-Site Speaker (Planned) Nancy Birkner
Abstract Scope Hollandites show promise for immobilization of alkali metal radionuclides (e.g. 137Cs fission product of nuclear reactors). The Center for Hierarchical Waste Form Materials previously measured the thermodynamic stability of A-site (Ba,Cs)-containing titanate hollandites of the general form BaxCsyZnx+y/2Ti8-x-y/2O16 and BaxCsyB2x+yTi8-2x-yO16 (x + y = 1.33 and B = Al, Fe, Ga). Enthalpies of formation in order of increasing stability are Ga<Zn<Fe≈Al (notation based on B-sites). Additionally, greater [Cs] increases stability resulting in fractional Cs retention increase under aqueous leaching conditions. Recently, K,Ga - titanate hollandites, (KxGayTi8-x-yO16, x = y) were measured using high temperature oxide melt solution calorimetry. Like previous titanate hollandites, their formation enthalpies are strongly exothermic indicating thermodynamic stability relative to their binary oxides and elements at 25 °C.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A First-principles-based Study of Oxidation Thermodynamics in Refractory High Entropy Alloys
ACerS Navrotsky Award for Experimental Thermodynamics of Solids: Advancing Solar-Driven Thermochemical Fuel Production Using Nonstoichiometric Perovskites
Determination of the Activation Energy of the Formation of Intermetallic Compounds in the Ni-Al and Ti-Al System upon Receipt of Special Alloys
Directions of Zero Thermal Expansion in Anisotropic Oxides
Dissolution of Uranium Based Dioxide in Nitric Acid: Impact of Fission Products and Microstructure
Effective Assessment and Thermodynamic Database Development for Potential Nuclear Reactor Molten Salt Systems
Energetics of Fe3O4 – FeAl2O4 Spinel Solid Solution
Energetics of K-,Ga- Titanate Hollandites
Energetics of La, Nd-containing Hydroxylbastnaesite (La1-xNdxCO3OH) Solid Solutions
High-temperature Structure and Thermodynamics of Cerium Silicates, A-Ce2Si2O7, and Ce4.67(SiO4)3O
In-situ Hydrothermal Synthesis Calorimetry on Nonclassical Pathways of Nickel–aluminum Layered Double Hydroxide (NiAl-LDH) Formation
Incorporation of Thorium and Uranium in the Monazite Structure by Wet Chemistry Route: Synthesis, Sintering and Long-term Behavior
Influence of Local Charge and Magnetic Ordering on Point Defect Properties in Magnetite (Fe3O4)
P2-19: Design of Ultra-high Temperature Ceramics for Oxidation Resistance
Stability of Multicomponent Rare Earth Silicates for Environmental Barrier Coating Application
Strength, Deformation, and Equation of State of Tungsten Carbide to 66 GPa
Thermal and Microstructural Evolutions in Kerogen-rich Marcellus Shale
Thermodynamic Investigation of Multicomponent Chloride Molten Salts for Spent Fuel Processing
Thermodynamic Properties of Special Alloys of the Ti-Al System Formed under SHS Conditions
Thermodynamics in the Design and Performance of Glass
Thermodynamics of An-Cl Complexes at High Temperature and Pressure

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