The Transformation of Tetrahedral to Octahedral Coordination in Anions of Interest in High-Level Tank Waste
EMSL Project ID
49771
Abstract
We propose to use nuclear magnetic resonance (NMR), Raman and Fourier transform-infrared (FT-IR) spectroscopy in combination with computational modeling to study the conversion of soluble tetrahedral aluminum species to octahedral coordination in solid precipitates under strongly basic conditions typical of high-level nuclear wastes.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2017-10-01
End Date
2019-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Co-Investigator(s)
Team Members
Related Publications
Al27 NMR chemical shift of Al(OH)4− calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems
Martinez Baez E., R. Feng, C.I. Pearce, G.K. Schenter, and A.E. Clark. 2020. "AI-27 NMR chemical shift of Al(OH)4- calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems." Journal of Chemical Physics 152, no. 13:Article No. 134303. PNNL-SA-150302. doi:10.1063/1.5144294
Surface Hydration and Hydroxyl Configurations of Gibbsite and Boehmite Nanoplates
Sassi M., Z. Wang, E.D. Walter, X. Zhang, H. Zhang, X.S. Li, and A. Tuladhar, et al. 2020. "Surface Hydration and Hydroxyl Configurations of Gibbsite and Boehmite Nanoplates." Journal of Physical Chemistry C 124, no. 9:5275-5285. PNNL-SA-149815. doi:10.1021/acs.jpcc.0c00659
Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents
Banuelos J.L., M. Lee, M. Nguyen, D. Zhang, D. Malhotra, D. Cantu Cantu, and V. Glezakou, et al. 2020. "Subtle Changes in Hydrogen Bond Orientation Result in Glassification of Carbon Capture Solvents." Physical Chemistry Chemical Physics. PNNL-SA-153262. doi:10.1039/D0CP03503C
Inference of principal species in caustic aluminate solutions through solid-state spectroscopic characterization
Dembowski M., M.P. Prange, M. Pouvreau, T.R. Graham, M.E. Bowden, A.T. N'Diaye, and G.K. Schenter, et al. 2020. "Inference of Principal Species in Caustic Aluminate Solutions Through Solid-State Spectroscopic Characterization." Dalton Transactions 49, no. 18:5869-5880. PNNL-SA-150681. doi:10.1039/d0dt00229a
Ion–ion interactions enhance aluminum solubility in alkaline suspensions of nano-gibbsite (α-Al(OH)3) with sodium nitrite/nitrate
Dembowski M., M. Snyder, C.H. Delegard, J.G. Reynolds, T.R. Graham, H. Wang, and I.I. Leavy, et al. 2020. "Ion-ion interactions enhance aluminum solubility in alkaline suspensions of nano-gibbsite (a-Al(OH)3) with sodium nitrite/nitrate." Physical Chemistry Chemical Physics. PCCP 22, no. 8:4368-4378. PNNL-SA-142835. doi:10.1039/C9CP05856G
Correlating inter-particle forces and particle shape to shear-induced aggregation/fragmentation and rheology for dilute anisotropic particle suspensions: A complementary study via capillary rheometry and in-situ small and ultra-small angle X-ray scattering
Krzysko A., E. Nakouzi, X. Zhang, T.R. Graham, K.M. Rosso, G.K. Schenter, and J. Ilavsky, et al. 2020. "Correlating inter-particle forces and particle shape to shear-induced aggregation/fragmentation and rheology for dilute anisotropic particle suspensions: a complementary study via capillary rheometry and in situ small and ultra-small angle X-ray scattering." Journal of Colloid and Interface Science 576. PNNL-SA-148317. doi:10.1016/j.jcis.2020.04.016
Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates
Graham T.R., R.M. Gorniak, M. Dembowski, X. Zhang, S.B. Clark, C.I. Pearce, and A.E. Clark, et al. 2020. "Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates." Inorganic Chemistry 59, no. 10:6857-6865. PNNL-SA-150728. doi:10.1021/acs.inorgchem.0c00258
Identification of Radiolytically-Active Thermal Transition Phases in Boehmite
Huestis P.I., T.R. Graham, S.T. Mergelsberg, and J.A. LaVerne. 2020. "Identification of Radiolytically-Active Thermal Transition Phases in Boehmite." Thermochimica Acta 689. PNNL-SA-151694. doi:10.1016/j.tca.2020.178611
Two-step route to size and shape controlled gibbsite nanoplates and the crystal growth mechanism
Wang S., X. Zhang, T.R. Graham, H. Zhang, C.I. Pearce, Z. Wang, and S.B. Clark, et al. 2020. "Two-Step Route to Size and Shape Controlled Gibbsite Nanoplates and the Crystal Growth Mechanism." CrystEngComm 22, no. 15:2555-2565. PNNL-SA-150680. doi:10.1039/D0CE00114G
Study on the Impacts of Capillary Number and Initial Water Saturation on the Residual Gas Distribution by NMR
Li T., Y. Wang, M. Li, J. Li, L. Chang, and Z. Wang. 2019. "Study on the Impacts of Capillary Number and Initial Water Saturation on the Residual Gas Distribution by NMR." Energies 12, no. 14:Article Number 2714. PNNL-SA-145434. doi:10.3390/en12142714
Electron- and Thermal-Stimulated Synthesis of Water on Boehmite (γ-AlOOH) Nanoplates
Jones B.M., A. Aleksandrov, X. Zhang, K.M. Rosso, and T.M. Orlando. 2019. "Electron- and Thermal-Stimulated Synthesis of Water on Boehmite (y-AlOOH) Nanoplates." Journal of Physical Chemistry C 123, no. 31:18986-18992. PNNL-SA-145568. doi:10.1021/acs.jpcc.9b03927
Transformation of Gibbsite to Boehmite in Caustic Aqueous Solution at Hydrothermal Conditions
Zhang X., W. Cui, J.Z. Hu, H. Wang, M.P. Prange, C. Wan, and N.R. Jaegers, et al. 2019. "Transformation of Gibbsite to Boehmite in Caustic Aqueous Solution at Hydrothermal Conditions." Crystal Growth & Design 19, no. 10:5557-5567. PNNL-SA-146423. doi:10.1021/acs.cgd.9b00468
Unraveling Gibbsite Transformation Pathways into LiAl-LDH in Concentrated Lithium Hydroxide
Graham T.R., J.Z. Hu, X. Zhang, M. Dembowski, N.R. Jaegers, C. Wan, and M.E. Bowden, et al. 2019. "Unraveling Gibbsite Transformation Pathways into LiAl-LDH in Concentrated Lithium Hydroxide." Inorganic Chemistry. PNNL-SA-138626. doi:10.1021/acs.inorgchem.9b02000
Countercations Control Local Specific Bonding Interactions and Nucleation Mechanisms in Concentrated Water-in-Salt Solutions
Wang H., T.R. Graham, E. Mamontov, K. Page, A.G. Stack, and C.I. Pearce. 2019. "Countercations Control Local Specific Bonding Interactions and Nucleation Mechanisms in Concentrated Water-in-Salt Solutions." Journal of Physical Chemistry Letters 10, no. 12:3318-3325. PNNL-SA-142833. doi:10.1021/acs.jpclett.9b01416
Effects of Ionic Strength, Salt, and pH on Aggregation of Boehmite Nanocrystals: Tumbler Small-Angle Neutron and X-ray Scattering and Imaging Analysis
Anovitz L.M., X. Zhang, J.A. Soltis, E. Nakouzi, A. Krzysko, J. Chun, and G.K. Schenter, et al. 2018. "Effects of Ionic Strength, Salt, and pH on Aggregation of Boehmite Nanocrystals: Tumbler Small-Angle Scattering and Imaging Analysis." Langmuir 34, no. 51:15839-15853. PNNL-SA-132707. doi:10.1021/acs.langmuir.8b00865
Boehmite and Gibbsite Nanoplates for the Synthesis of Advanced Alumina Products
Zhang X., P.I. Huestis, C.I. Pearce, J.Z. Hu, K. Page, L.M. Anovitz, and A. Aleksandrov, et al. 2018. "Boehmite and Gibbsite Nanoplates for the Synthesis of Advanced Alumina Products." ACS Applied Nano Materials 1, no. 12:7115-7128. PNNL-SA-139693. doi:10.1021/acsanm.8b01969
Coupled Multimodal Dynamics of Hydrogen-Containing Ion Networks in Water-Deficient, Sodium Hydroxide-Aluminate Solutions
Graham T.R., D. Semrouni, E. Mamontov, A.J. Ramirez-Cuesta, K. Page, A.E. Clark, and G.K. Schenter, et al. 2018. "Coupled Multimodal Dynamics of Hydrogen-Containing Ion Networks in Water-Deficient, Sodium-Hydroxide-Aluminate Solutions." Journal of Physical Chemistry B 122, no. 50:12097-12106. PNNL-SA-138723. doi:10.1021/acs.jpcb.8b09375
27Al Pulsed Field Gradient, Diffusion–NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions
Graham T.R., K. Han, M. Dembowski, A. Krzysko, X. Zhang, J.Z. Hu, and S.B. Clark, et al. 2018. "27Al Pulsed Field Gradient, Diffusion-NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions." Journal of Physical Chemistry B 122, no. 48:10907-10912. PNNL-SA-138291. doi:10.1021/acs.jpcb.8b10145
Pre‐Viking Swedish hillfort glass: A prospective long‐term alteration analogue for vitrified nuclear waste
Weaver J.L., C.I. Pearce, R. Sjoblom, J.S. McCloy, M.D. Miller, T. Varga, and B.W. Arey, et al. 2018. "Pre-Viking Swedish Hillfort Glass: A Prospective Long-Term Alteration Analogue for Vitrified Nuclear Waste." International Journal of Applied Glass Science 9. PNNL-26864. doi:10.1111/ijag.12351
Impact of Solution Chemistry and Particle Anisotropy on the Collective Dynamics of Oriented Aggregation
Nakouzi E., J.A. Soltis, B.A. Legg, G.K. Schenter, X. Zhang, T.R. Graham, and K.M. Rosso, et al. 2018. "Impact of Solution Chemistry and Particle Anistropy on the Collective Dynamics of Oriented Aggregation." ACS Nano. PNNL-SA-132757. doi:10.1021/acsnano.8b04909. [Unpublished]
In Situ 27Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions above and below Saturation with Respect to Gibbsite
Graham T.R., M. Dembowski, E. Martinez Baez, X. Zhang, N.R. Jaegers, J.Z. Hu, and H. Wang, et al. 2018. "In-Situ 27Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions Above and Below Saturation with Respect to Gibbsite." Inorganic Chemistry 57, no. 19:11864-11873. PNNL-SA-132754. doi:10.1021/acs.inorgchem.8b00617
Radiolytic stability of gibbsite and boehmite with adsorbed water
Huestis PI, CI Pearce, X Zhang, AT N'Diaye, KM Rosso, and J Laverne. 2018. "Radiolytic Stability of Gibbsite and Boehmite with Adsorbed Water." Journal of Nuclear Materials 501:224-233. doi:10.1016/j.jnucmat.2018.01.043
Transitions in Al Coordination during Gibbsite Crystallization Using High-Field 27Al and 23Na MAS NMR Spectroscopy
Hu JZ, X Zhang, NR Jaegers, C Wan, TR Graham, MY Hu, CI Pearce, AR Felmy, SB Clark, and KM Rosso. 2017. "Transitions in Al Coordination During Gibbsite Crystallization Using High-Field 27Al and 23Na MAS NMR Spectroscopy." Journal of Physical Chemistry C 121(49):27555-27565. doi:10.1021/acs.jpcc.7b10424
Fast Synthesis of Gibbsite Nanoplates and Process Optimization using Box-Behnken Experimental Design
Zhang X, X Zhang, TR Graham, CI Pearce, BL Mehdi, AT N'Diaye, SN Kerisit, ND Browning, SB Clark, and KM Rosso. 2017. "Fast Synthesis of Gibbsite Nanoplates and Process Optimization using Box-Behnken Experimental Design." Crystal Growth & Design 17(12):6801-6808. doi:10.1021/acs.cgd.7b01400