Engineering topics

Deinhart, Amanda

Publications and source records attributed to Deinhart, Amanda.

4 records

DOE OSTI2022

The oxygen stable isotope composition of CRM 125-A UO 2 standard reference material

While there is a clear need for standardized reference materials for analytical calibrations and for inter-laboratory comparisons, there are not currently any for the oxygen stable isotopic composition of uranium oxides. In this paper we summarize the results from four laboratories by seven different methods of oxygen stable isotope analyses using fluorination techniques of CRM 125-A UO 2 Standard Reference Material. We synthesize these data and methods to arrive at a consensus oxygen stable isotope composition for CRM 125-A $δ$ 18 O = -9.63‰ (±0.29‰) VSMOW. We discuss methodological differences between analytical approaches, including furnace vs laser heating, fluorination using BrF 5 or ClF 3 , as well as calibration strategies. We highlight the potential effects of calibration scale compression from single-point calibrations using reference material with $δ$ 18 O values having a large relative difference from the sample being analyzed. We demonstrate how calibration scale compression can yield differences in calibrated $δ$ 18 O values up to ~2‰ for samples with ~20‰ difference from a single reference material, if the calibration slope of different analytical systems differs by 0.1. In conclusion, we suggest the use of liquid water calibration standards sealed in silver capillary tubes for multi-point calibrations of fluorination analysis systems.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2022

Community Based Data of Uranium Adsorption onto Quartz

This data upload includes a compilation of experiments for quantifying uranium adsorption onto quartz. The provided .csv file has been compiled from the literature in a findable, accessible, interoperable, reusable (FAIR) data format. This was accomplished using the Lawrence Livermore National Laboratory Surface Complexation Database Converter (SCDC) code written in the R programming language (free licensing available at https://ipo.llnl.gov/technologies/software/llnl-surface-complexation-database-converter-scdc). This constitutes all current data compiled on uranium-quartz interactions in the L-SCIE (LLNL Surface Complexation/Ion Exchange) database (as of 02/28/2022). This data was used to develop surface complexation models that fit the global community dataset (https://doi.org/10.1021/acs.est.1c07109). The FAIR-formatted dataset also enables the implementation of alternative machine-learning approaches that can be explored in the future.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Community Data Mining Approach for Surface Complexation Database Development

This paper presents a comprehensive data-to-model workflow, including a findable, accessible, interoperable, reusable (FAIR) community sorption database (newly developed LLNL Surface Complexation/Ion Exchange (L-SCIE) database) along with a data fitting workflow to efficiently optimize surface complexation reaction constants with multiple surface complexation model (SCM) constructs. This workflow serves as a universal framework to mine, compile, and analyze large numbers of published sorption data as well as to estimate reaction constants for parameterizing reactive transport models. Here the framework includes (1) data digitization from published papers, (2) data unification including unit conversions, and (3) data-model integration and reaction constant estimation using geochemical software PHREEQC coupled with the universal parameter estimation code PEST. We demonstrate our approach using an analysis of U(VI) sorption to quartz based on a first L-SCIE implementation, concluding that a multisite SCM construct with carbonate surface species yielded the best fit to community data. Surface complexation reaction constants extracted from this approach captured all available sorption data available in the literature and provided insight into previously published reaction constants and surface complexation model constructs. The L-SCIE sorption database presented herein allows for automating this approach across a wide range of metals and minerals and implementing novel machine learning approaches to reactive transport in the future.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2021

Vegetation water sources in California's Sierra Nevada (USA) are young and change over time, a multi-isotope ( δ 18 O, δ 2 H, 3 H) tracer approach.

Sierra Nevada forests transpire a significant amount of California's water resources, sparking interest in applying forest management to improve California's water supply. Determining the source water of evapotranspiration enables forest managers to make informed decisions. To this end, a significant interest in critical zone science is to develop new methods to work across time scales to predict subsurface water storage and use. Here, forest vegetation accessed young water and switched sources depending on availability, suggesting that forest drought vulnerability may depend on the range of water sources available (rain, snowmelt and deeply stored water). This finding also suggests that changes in transpiration rates may have immediate effects on water sources in close proximity to vegetation, and delayed effects on storage and runoff. New δ 18 O, δ 2 H and 3 H data were used to track precipitation, runoff, evapotranspiration and storage through the critical zone seasonally, including seasons where evapotranspiration and snowmelt were in phase (winter snowmelt) and out of phase (seasonally dry summer). The main source of this headwater catchment's runoff is derived from its meadow saturated zone water, which was dominated by snowmelt. Water that originated as snowmelt contributed to transpiration, unless other sources, such as recent rain, became available. In cases where xylem δ 18 O and δ 2 H signatures matched those of deeper saturated zone water, 3 H data showed that xylem water was distinctly younger than the deep saturated zone water. During 2016, which experienced relatively normal snowpack in winter and seasonally dry summer conditions, mean summer saturated zone water and vegetation water were similar in δ 18 O, –12.4 ± 0.04 ‰ and – 12.5 ± 0.3 ‰, respectively, but were distinctly different in 3 H, 5.5 ± 0.2 pCi/L and 13.7 ± 1.1 pCi/L, respectively. While δ 18 O shows that vegetation and meadow saturated zone water have similar origins, 3 H shows they have dissimilar ages.

58 GEOSCIENCES↗