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- W127170871 abstract "This report summarizes our research to develop quantitative and predictive understanding of the chemistry that is induced by radiation and heat in high-level waste (HLW) and computational capabilities to model that chemistry. The effort is meant to assist in establishing technical baseline knowledge required to make decisions on issues as they arise. We focus on complexants, which are ubiquitous in the waste and relevant to many issues concerning waste storage and site cleanup activities. Results to be presented include: (a) elucidation of the mechanism for oxidation of complexants by NO2 inferred from rate determinations, product studies, and electronic structure calculations, (b) new insights on the role of aluminum ions in catalyzing the thermal oxidation of complexants by NO2 -(c) advances in solvation models for calculating solution properties of oxoanions and radicals at the high ionic strength prevailing in HLW, (d) measurement of thermochemical properties of key intermediates (e.g., E(NOx -/NOx 2- ) and DfG and DfH of radicals in water) using the techniques of pulsed radiolysis and pulsed photoacoustic calorimetry, and (e) effects of particles on radiolytic production of H2." @default.
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- W127170871 date "2003-09-11" @default.
- W127170871 modified "2023-09-27" @default.
- W127170871 title "Modeling the Chemistry in High-Level Waste Tanks: Effects of Radiation and Heat on Waste Simulants" @default.
- W127170871 hasPublicationYear "2003" @default.
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