Evaluation of Used Fuel Disposition in Clay-Bearing Rock

Colon, Carlos Jove; Weck, Philippe F.; Sassani, David; Zheng, Liange; Rutqvist, Jonny; Steefel, Carl I.; Kim, Kunhwi; Nakagawa, Seiji; Houseworth, James; Birkhölzer, Jens; Caporuscio, Florie; Cheshire, Michael C.; Rearick, M.; McCarney, Mary Kate; Zavarin, Mavrik; Benedicto, Ana; Kersting, Annie B.; Sutton, Mark Q.; Jerden, James L.; Frey, Kurt; Copple, Jacqueline M.; Ebert, W. L.

doi:10.2172/1164611

Cited by 5 publications

(3 citation statements)

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“…In particular, smectite clay is a key component of the engineered barrier system (EBS) considered in the disposition of high level nuclear waste in geological environments. The performance of EBS design concepts as a result of near-field geochemical interactions with barrier materials, including the host–rock natural barrier, are key to the long-term safety assessment of deep geological repositories. − Of particular importance is the disposition of heat-generating nuclear waste in canister configurations that could result in elevated temperature scenarios (e.g., in excess of 100 °C). Therefore, the response of swelling clay material to temperatures above ambient in the presence of fluids is important to long-term EBS performance. , …”

Section: Introductionmentioning

confidence: 99%

Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

et al. 2015

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The swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for a montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.

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Section: Introductionmentioning

confidence: 99%

Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

et al. 2015

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“…The Bentonite Rock Interaction Experiment (BRIE) at the Äspö Hard Rock Laboratory has provided valuable data within the goals of: (1) obtaining an improved understanding of water exchange across the bentonite-rock interface, (2) water flow in rock matrix and fractures, and (3) enhance our understanding of bentonite wetting towards the development of predictive models of porous clay barrier materials. Clay hydration thermodynamic modeling of end-member compositions has already been described in Jové Colón et al (2013) based on a sub-regular Margules-type solid solution formulation. Its implementation into the microporosity model by Sedighi and Thomas (2014) is described in Birkholzer et al (2015).…”

Section: Skb Bentonite Rock Interaction Experiments (Brie): Clay Hydration Modelingmentioning

confidence: 99%

International Collaboration Activities on Engineered Barrier Systems

Jové-Colón

Heath

Matteo

2017

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“…6 Np(V) forms a wellsoluble 7 trans-dioxo ion (NpO 2 + ) in aqueous solution. Tetravalent Np prevails under reducing conditions 8 and forms by about 5 orders of magnitude less soluble 9 hydroxo complexes.…”

Section: ■ Introductionmentioning

confidence: 99%

Np(V) Retention at the Illite du Puy Surface

Schacherl

Joseph

Beck

et al. 2023

Environ. Sci. Technol.

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In this study, Np(V) retention on Illite du Puy (IdP) was investigated since it is essential for understanding the migration behavior of Np in argillaceous environments. The presence of structural Fe(III) and Fe(II) in IdP was confirmed by Fe K-edge X-ray absorption near-edge structure (XANES) and 57Fe Mössbauer spectroscopy. In batch sorption experiments, a higher Np sorption affinity to IdP was found than to Wyoming smectite or iron-free synthetic montmorillonite. An increase of the relative Np(IV) ratio sorbed onto IdP with decreasing pH was observed by solvent extraction (up to (24 ± 2)% at pH 5, c 0(Np) = 10–6 mol/L). Furthermore, up to (33 ± 5)% Np(IV) could be detected in IdP diffusion samples at pH 5. Respective Np M5-edge high-energy resolution (HR-) XANES spectra suggested the presence of Np(IV/V) mixtures and weakened axial bond covalency of the NpO2 + species sorbed onto IdP. Np L3-edge extended X-ray absorption fine structure (EXAFS) analysis showed that significant fractions of Np were coordinated to FeO entities at pH 9. This highlights the potential role of Fe(II/III) clay edge sites as a strong Np(V) surface complex partner and points to the partial reduction of sorbed Np(V) to Np(IV) via structural Fe(II).

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Evaluation of Used Fuel Disposition in Clay-Bearing Rock

Cited by 5 publications

References 0 publications

Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

Swelling Properties of Montmorillonite and Beidellite Clay Minerals from Molecular Simulation: Comparison of Temperature, Interlayer Cation, and Charge Location Effects

International Collaboration Activities on Engineered Barrier Systems

Np(V) Retention at the Illite du Puy Surface

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