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At least 163 records · Page 9

Sample Results From The Interim Salt Disposition Program Macrobatch 7 Tank 21H Qualification Samples

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Macrobatch (Salt Batch) 7 for the Interim Salt Disposition Program (ISDP). An ARP and several ESS tests were also performed. This document reports characterization data on the samples of Tank 21H as well as simulated performance of ARP/MCU. No issues with the projected Salt Batch 7 strategy are identified, other than the presence of visible quantities of dark colored solids. A demonstration of the monosodium titanate (0.2 g/L) removal of strontium and actinides provided acceptable 4 hour average decontamination factors for Pu and Sr of 3.22 and 18.4, respectively. The Four ESS tests also showed acceptable behavior with distribution ratios (D(Cs)) values of 15.96, 57.1, 58.6, and 65.6 for the MCU, cold blend, hot blend, and Next Generation Solvent (NGS), respectively. The predicted value for the MCU solvent was 13.2. Currently, there are no models that would allow a prediction of extraction behavior for the other three solvents. SRNL recommends that a model for predicting extraction behavior for cesium removal for the blended solvent and NGS be developed. While no outstanding issues were noted, the presence of solids in the samples should be investigated in future work. It is possible that the solids may represent a potential reservoir of material (such as potassium) that could have an impact on MCU performance if they were to dissolve back into the feed solution. This salt batch is intended to be the first batch to be processed through MCU entirely using the new NGS-MCU solvent.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solvent Hold Tank Sample Results For MCU-13-814, MCU-13-815, MCU-13-816, MCU-13,817, MCU-13-818 And MCU-13-819: Quarterly Sample From May 2013

Savannah River National Laboratory (SRNL) analyzed solvent samples from Modular Caustic-Side Solvent Extraction Unit (MCU) in support of continuing operations. A quarterly analysis of the solvent is required to maintain solvent composition within specifications. Analytical results of the analyses of Solvent Hold Tank (SHT) samples MCU-13-814, MCU-13-815, MCU-13-816, MCU-13-817, MCU-13-818 and MCU-13-819 received May 28, 2013 are reported. The results show that the solvent at MCU does not require an Isopar® L addition, but it will require addition of trioctylamine despite of the 272 g of TOA that was added to the solvent on June 5, 2013 based on the solvent containing a TOA level of 45% of nominal. A new TOA analysis method (HCl titration) has been used and its output was statistically similar to the results from the SVOA-TOA method. This method provides an independent method for measuring TOA and TiDG in MCU-NG solvent. An impurity containing a tert-butyl group was detected in the solvent and further analytical analysis is needed to identify it. SRNL recommends determining the impact of this impurity on the mass transfer ability of the solvent. SRNL also analyzed the SHT sample for 137 Cs content and determined the measured value is above the results observed from the January 2013.

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Solvent Hold Tank Sample Results for MCU-14-135/136 and MCU-14-214/215/216: February and March 2014 Monthly Samples

SRNL received two sets of SHT samples (MCU-14-135-136 in February 2014 and MCU-14-214-216 in March 2014) for analysis. The samples were analyzed for composition. As with the previous solvent sample results, these analyses indicate that the solvent does not require Isopar ® L trimming at this time. However, the addition of TiDG (suppressor) to the blended solvent is recommended. Evidence of possible (slight) isomerization of the solvent, probably Isopar ® L or TiDG degradation products, was observed.

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SOLVENT HOLD TANK SAMPLE RESULTS FOR MCU-14-667-672 AND MCU-14-846-847: AUGUST AND SEPTEMBER 2014 MONTHLY SAMPLES

SRNL received two sets of SHT samples (MCU-14-667-672, pulled 8/27/2014 and MCU-14-846-847, pulled on 9/22/2014) for analysis. The samples were analyzed for composition. It is recommended that the solvent receives Isopar® L and TiDG trimming at this time. Analysis of sample MCU-14-846-847 indicates the solvent has evaporated Isopar®L and has lost TiDG to a level below the recommended minimum 1 mM level. Since the addition of MaxCalix to the SHT in early July 2014, the MaxCalix concentration in the solvent has reached nominal values. The laboratory will continue to monitor the quality of the solvent in particular for any new impurity or degradation of the solvent components.

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Solvent hold tank sample results for MCU-14-1172-1173: December 2014 monthly sample

SRNL received one set of SHT samples (MCU-14-1172-1173 pulled on 12/30/2014) for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-14-1172- 1173 indicated low concentrations of the suppressor (TiDG), of the extractant (MaxCalix), and of the modifier (CS-7SB) in the solvent relative to their nominal values. This analysis confirms a downward trend of these components. No impurities were found in this solvent. The laboratory will continue to monitor the quality of the solvent in particular for any new impurity or degradation of the solvent components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent Hold Tank Sample Results for MCU-15-129-130-131: January 2015 Monthly Sample

SRNL received one set of Solvent Hold Tank (SHT) samples (MCU-15-129, MCU-15-130, and MCU-15-131), pulled on 01/25/2015 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-15-129-130-131 indicated low concentrations of the suppressor (TiDG), of the extractant (MaxCalix), and of the modifier (CS-7SB) in the solvent relative to their nominal values. This analysis confirms a downward trend of these components. No impurities were found in this solvent. The laboratory will continue to monitor the quality of the solvent in particular for any new impurity or degradation of the solvent components.

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Solvent hold tank sample results for MCU-16-1317-1318-1319. September 2016 monthly sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-16-1317-1318-1319), pulled on 09/12/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-1317-1318-1319 indicated the Isopar™L concentration is above its nominal level (102%). The extractant (MaxCalix) and the modifier (CS-7SB) are 5% and 10 % below their nominal concentrations. The suppressor (TiDG) is 77% below its nominal concentration. A summary of the concentration of the relevant solvent components is shown below. This analysis confirms the Isopar™ addition to the solvent in August. This analysis also indicates the solvent may require the addition of TiDG, and possibly of modifier to restore them to nominal levels.

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Solvent hold tank sample results for MCU-16-1247-1248-1249: August 2016 monthly sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-16-1247-1248-1249), pulled on 08/22/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-1247-1248-1249 indicated the Isopar™L concentration is above its nominal level (101%). The extractant (MaxCalix) and the modifier (CS-7SB) are 7% and 9 % below their nominal concentrations. The suppressor (TiDG) is 63% below its nominal concentration. A summary of the concentration of the relevant solvent components is shown below.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent hold tank sample results for MCU-16-1363-1364-1365: November 2016 monthly sample

Savannah River National Laboratory (SRNL) received one set of three Solvent Hold Tank (SHT) samples (MCU-16-1363-1364-1365), pulled on 11/15/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-1363-1364-1365 indicated the Isopar™L concentration is at its nominal level (100%). The extractant (MaxCalix) and the modifier (CS- 7SB) are 8% and 2 % below their nominal concentrations. The suppressor (TiDG) is 7% below its nominal concentration. A summary of the concentration of the relevant solvent components is shown below.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent hold tank sample results for MCU-16-1317-1318-1319: September 2016 monthly sample

Savannah River National Laboratory (SRNL) received one set of three Solvent Hold Tank (SHT) samples (MCU-16-1317-1318-1319), pulled on 09/12/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-1317-1318-1319 indicated the Isopar™L concentration is above its nominal level (102%). The extractant (MaxCalix) and the modifier (CS-7SB) are 5% and 9% below their nominal concentrations. The suppressor (TiDG) is 76% below its nominal concentration. A summary of the concentration of the relevant solvent components is shown below.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Supplemental Environmental Project, Supplemental Sampling and Monitoring Work Plan Regarding Settlement Agreement and Stipulated Final Order HWB-14-20, Addendum 3: Certification Package: Sampling and Monitoring

In accordance with the Supplemental Environmental Project (SEP), Settlement Agreement and Stipulated Final Order HWB-14-20 (signed January 22, 2016), Addendum 3: Supplemental Sampling and Monitoring Work Plan (sent December 12, 2016), this correspondence certifies that the Sampling and Monitoring subproject has been completed. When all Supplemental Sampling and Monitoring SEP subprojects are completed, Department of Energy (DOE) and TRIAD, LLC shall submit a signed and sworn Certification of Completion in accordance with the approved SEP Addendum 3.

54 ENVIRONMENTAL SCIENCES↗

Scoping Sampling at the Site 300 Water Line Project: Soil Sampling and Analysis Plan/Quality Assurance Plan

Lawrence Liverniore National Laboratory’s (LLNL) Mechanical Utilities Division (MUD) is currently scoping a project with the Project Management Office (PMO) Experimental Test Site 300 (S300) to install/upgrade roughly six miles of water line along established roads within the complex. This Sampling and Analysis Plan (SAP) outlines the requirements to collect an initial round of soil samples from the proposed alignment of the water line to provide preliminary data and information that can be used during project design. The samples will be submitted to an offsite contract laboratory for analysis.

54 ENVIRONMENTAL SCIENCES↗

Pulmonary lobe segmentation based on ridge surface sampling and shape model fitting

Purpose: Performing lobe-based quantitative analysis of the lung in computed tomography (CT) scans can assist in efforts to better characterize complex diseases such as chronic obstructive pulmonary disease (COPD). While airways and vessels can help to indicate the location of lobe boundaries, segmentations of these structures are not always available, so methods to define the lobes in the absence of these structures are desirable. Methods: The authors present a fully automatic lung lobe segmentation algorithm that is effective in volumetric inspiratory and expiratory computed tomography (CT) datasets. The authors rely on ridge surface image features indicating fissure locations and a novel approach to modeling shape variation in the surfaces defining the lobe boundaries. The authors employ a particle system that efficiently samples ridge surfaces in the image domain and provides a set of candidate fissure locations based on the Hessian matrix. Following this, lobe boundary shape models generated from principal component analysis (PCA) are fit to the particles data to discriminate between fissure and nonfissure candidates. The resulting set of particle points are used to fit thin plate spline (TPS) interpolating surfaces to form the final boundaries between the lung lobes. Results: The authors tested algorithm performance on 50 inspiratory and 50 expiratory CT scans taken from the COPDGene study. Results indicate that the authors' algorithm performs comparably to pulmonologist-generated lung lobe segmentations and can produce good results in cases with accessory fissures, incomplete fissures, advanced emphysema, and low dose acquisition protocols. Dice scores indicate that only 29 out of 500 (5.85%) lobes showed Dice scores lower than 0.9. Two different approaches for evaluating lobe boundary surface discrepancies were applied and indicate that algorithm boundary identification is most accurate in the vicinity of fissures detectable on CT. Conclusions: The proposed algorithm is effective for lung lobe segmentation in absence of auxiliary structures such as vessels and airways. The most challenging cases are those with mostly incomplete, absent, or near-absent fissures and in cases with poorly revealed fissures due to high image noise. However, the authors observe good performance even in the majority of these cases.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantifying sampling noise and parametric uncertainty in atomistic-to-continuum simulations using surrogate models

We present a methodology to assess the predictive fidelity of multiscale simulations by incorporating uncertainty in the information exchanged between the components of an atomistic-to-continuum simulation. We account for both the uncertainty due to finite sampling in molecular dynamics (MD) simulations and the uncertainty in the physical parameters of the model. Using Bayesian inference, we represent the expensive atomistic component by a surrogate model that relates the long-term output of the atomistic simulation to its uncertain inputs. We then present algorithms to solve for the variables exchanged across the atomistic-continuum interface in terms of polynomial chaos expansions (PCEs). We also consider a simple Couette flow where velocities are exchanged between the atomistic and continuum components, while accounting for uncertainty in the atomistic model parameters and the continuum boundary conditions. Results show convergence of the coupling algorithm at a reasonable number of iterations. As a result, the uncertainty in the obtained variables significantly depends on the amount of data sampled from the MD simulations and on the width of the time averaging window used in the MD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Defining And Characterizing Sample Representativeness For DWPF Melter Feed Samples

Representative sampling is important throughout the Defense Waste Processing Facility (DWPF) process, and the demonstrated success of the DWPF process to achieve glass product quality over the past two decades is a direct result of the quality of information obtained from the process. The objective of this report was to present sampling methods that the Savannah River Site (SRS) used to qualify waste being dispositioned at the DWPF. The goal was to emphasize the methodology, not a list of outcomes from those studies.

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Mercury Concentrations in the Two-Toed Amphiuma ( Amphiuma means ) and the Lesser Siren ( Siren intermedia ): Validating Non-lethal Sampling Methods in Southeastern Aquatic Salamanders

The global decline of amphibians is a major conservation issue. Many stressors are recognized for this decline including exposure to environmental contaminants. Mercury (Hg) is an environmental contaminant that bioaccumulates in wildlife and can cause a variety of negative impacts across taxa, including amphibians. Amphiuma and Siren spp. can comprise a large portion of biomass within their respective ecosystems, and thus, likely serve as important predators or prey in wetland communities. However, due to their cryptic nature, little is known about their ecology, diet, and accumulation potential. Here, we sought to validate a non-lethal sampling method to quantify total mercury (THg) in two enigmatic species of aquatic salamanders: the two-toed amphiuma (Amphiuma means) and the lesser siren (Siren intermedia). We examined relationships between THg content in lethal (whole-body) and non-lethal (tail clip) samples. Tail clips were significant predictors of whole body THg (all p < 0.001), explaining 84-89% of variation in whole body THg. Average whole-body THg (mg/kg did not significantly differ between the two species (p = 0.97), and overall, they had similar whole body THg content (LESI = 0.330 ± 0.04, n = 18; AMME = 0.333 ± 0.07, n = 11). To our knowledge, these data represent the first reported Hg burdens in A. means and S. intermedia.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Ultra-High Resolution Elemental/Isotopic Mass Spectrometry (m/?m> 1,000,000): Coupling of the Liquid Sampling-Atmospheric Pressure Glow Discharge with an Orbitrap Mass Spectrometer for Applications in Biological Chemistry and Environmental Analysis

Many fundamental questions of astrophysics, biochemistry, and geology rely on the ability to accurately and precisely measure the mass and abundance of isotopes. Taken a step further, the capacity to perform such measurements on intact molecules provides insights into processes in diverse biological systems. Described here is the coupling of a combined atomic and molecular (CAM) ionization source, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma, with a commercially available ThermoScientific Fusion Lumos mass spectrometer. Demonstrated for the first time is the ionization and isotopically-resolved fingerprinting of a long-postulated, but never mass-spectrometrically observed, bi-metallic complex Hg:Se-cysteine. Such a complex has been implicated as having a role in observations of Hg detoxification by selenoproteins/amino acids. Demonstrated as well is the ability to mass spectrometrically-resolve the geochronologically important isobaric 87Sr and 87Rb species (?m ~ 0.3 mDa, mass resolution m/?m ? 1,700,000). The mass difference in this case reflects the beta-decay of the 87Rb to the stable Sr isotope. These two demonstrations highlight what may be a significant change in bioinorganic and atomic mass spectrometry, with impact expected across a broad spectrum of the physical, biological and geological sciences.

Hoegg, Edward D.↗