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
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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
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
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
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
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
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
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]
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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
Wang M., N.R. Jaegers, C. Wan, J.Z. Hu, H. Shi, D. Mei, and S.D. Burton, et al. 2019. "Genesis and Stability of Hydronium Ions in Zeolite Channels." Journal of the American Chemical Society 141, no. 8:3444-3455. PNNL-SA-136963. doi:10.1021/jacs.8b07969
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
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
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
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
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