Tracking nitrite's deviation from Stokes–Einstein predictions with pulsed field gradient 15N NMR spectroscopy

Graham, Trent R.; Wei, Yihui; Walter, Eric D.; Nienhuis, Emily T.; Chun, Jaehun; Schenter, Gregory K.; Rosso, Kevin M.; Pearce, Carolyn I.; Clark, Aurora E.

doi:10.1039/d3cc04168a

Title: Tracking nitrite's deviation from Stokes–Einstein predictions with pulsed field gradient ¹⁵N NMR spectroscopy

Journal Article · 17 November 2023 · ChemComm

DOI: https://doi.org/10.1039/d3cc04168a · OSTI ID:2216982

^[1]; Wei, Yihui ^[2];

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Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Univ. of Utah, Salt Lake City, UT (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Washington State Univ., Pullman, WA (United States)

Predicting the behavior of oxyanions in radioactive waste stored at the Department of Energy legacy nuclear sites requires the development of novel analytical methods. This work demonstrates ¹⁵N pulsed field gradient nuclear magnetic resonance spectroscopy to quantify the diffusivity of nitrite. Experimental results, supported by molecular dynamics simulations, indicate that the diffusivity of free hydrated nitrite exceeds that of free hydrated sodium despite the greater hydrodynamic radius of nitrite. Investigations are underway to understand how the compositional and dynamical heterogeneities of the ion networks at high concentrations affect rheological and transport properties.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL); Energy Frontier Research Centers (EFRC) (United States). Interfacial Dynamics in Radioactive Environments and Materials (IDREAM)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE

Grant/Contract Number:: AC05-76RL01830; FWP 68932

OSTI ID:: 2216982

Alternate ID(s):: OSTI ID: 2337910

Report Number(s):: PNNL-SA-189626

Journal Information:: ChemComm, Vol. 59, Issue 97; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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NMR
nitrite

Title: Tracking nitrite's deviation from Stokes–Einstein predictions with pulsed field gradient 15N NMR spectroscopy

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Title: Tracking nitrite's deviation from Stokes–Einstein predictions with pulsed field gradient ¹⁵N NMR spectroscopy