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SME Acceptability Determination For DWPF Process Control (U)

The statistical system described in this document is called the Product Composition Control System (PCCS). K. G. Brown and R. L. Postles were the originators and developers of this system as well as the authors of the first three versions of this technical basis document for PCCS. PCCS has guided acceptability decisions for the processing at the Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS) since the start of radioactive operations in 1996. The author of this revision to the document gratefully acknowledges the firm technical foundation that Brown and Postles established to support the ongoing successful operation at the DWPF. Their integration of the glass propertycomposition models, developed under the direction of C. M. Jantzen, into a coherent and robust control system, has served the DWPF well over the last 20+ years, even as new challenges, such as the introduction into the DWPF flowsheet of auxiliary streams from the Actinide Removal Process (ARP) and other processes, were met. The purpose of this revision is to provide a technical basis for modifications to PCCS required to support the introduction of waste streams from the Salt Waste Processing Facility (SWPF) into the DWPF flowsheet. An expanded glass composition region is anticipated by the introduction of waste streams from SWPF, and property-composition studies of that glass region have been conducted. Jantzen, once again, directed the development of glass property-composition models applicable for this expanded composition region. The author gratefully acknowledges the technical contributions of C.M. Jantzen leading to the development of these glass property-composition models. The integration of these models into the PCCS constraints necessary to administer future acceptability decisions for the processing at DWPF is provided by this sixth revision of this document.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Green-House-Gas-Reduced Coal-and-Biomass-to-Liquid-Based Jet Fuel (GHGR-CBTL) Process - Final Technical report

This Final Technical Report describes the work and accomplishments of the project entitled, “Green-House-Gas-Reduced Coal-and-Biomass-to-Liquid-Based Jet Fuel (GHGR-CBTL) Process”. The main objective of the project was to raise the Technology Readiness Level (TRL) of the GHGR-CBTL fuel-production technology from TRL 4 to TRL 5 by producing a drop-in synthetic Jet Propellant 8 (JP-8) with a greenhouse-gas footprint less than or equal to petroleum-based JP-8 by utilizing mixtures of coal and biomass as the feedstock. The system utilizes the patented Altex fuel-production technology, which incorporates advanced catalysts developed by Pennsylvania State University. While the system was not fabricated and tested, major efforts were expended to design the 1-TPD and a full-scale plant. The system was designed, a Block-Flow Diagram (BFD), a Process-Flow Diagram (PFD), and Piping-and-Instrumentation Diagrams (P&IDs) were produced, a Bill of Materials (BOM) and associated spec sheets were produced, commercially available components were selected and procured, custom components were designed and fabricated, catalysts were developed and screened for performance, and permitting activities were conducted. Optimization tests for JP-8 production using C2 olefin as the feed were performed over a range of temperatures, pressures and WHSVs. Liquid yields of between 63 to 65% with 65% JP-8 fraction (41-42% JP-8 yield) at 50 psig were achieved. Life-Cycle Analysis (LCA) was performed by Argonne National Laboratory (ANL), and a GHGR-CBTL module was added to the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET®) model. Based upon the experimental results, the plant design was reconfigured for zero natural-gas imports and minimal electricity imports. The LCA analysis of the reconfigured process utilizing the GREET model showed that if the char from the process was utilized to produce combined heat and power (CHP) then a feed containing 23 wt% biomass and 77 wt% lignite would be needed for parity with petroleum-based JP-8. If the char is not utilized for CHP, but sequestered in a land fill, 24 wt% biomass and 76 wt% lignite would be required. A TEA was performed on this configuration following DOE guidelines and using the ANL-developed GREET module that showed that the GHGR-CBTL TOC and ECO are 69% and 58% of those for the DOE FT-Liquids Baseline Case, respectively. This analysis shows that the economics of the GHGR-CBTL process are significantly better than a gasification/FT process. No technical barriers were identified. The lower costs and the detailed design that was performed under this project are being used by Altex to attract funding partners to move the GHGR-CBTL development forward.

01 COAL, LIGNITE, AND PEAT↗

Engineering Design of Advanced H 2 – CO 2 Pd and Pd/Alloy Composite Membrane Separations and Process Intensification

The integrated gasification combined cycle (IGCC) process is a way to co-produce synthesis gas, electricity, hydrogen, fuels and chemicals from coal and coal/biomass-mix in an environmentally responsible manner. The production of hydrogen via the water-gas shift (WGS) reaction is a key part of this process. Pd and Pd/Alloy-based catalytic membrane reactors used in the WGS process could significantly improve the efficiency of the IGCC process with a great potential for process intensification. Membrane reactors enable reaction, separation and product concentration to take place in a single unit operation, leading to conversion levels beyond thermodynamic equilibrium due to the continuous removal of H 2 . Worcester Polytechnic Institute (WPI) has developed composite Pd and Pd/alloy composite hydrogen separation membranes with high H 2 flux, excellent selectivity and long-term durability for this membrane reactor process. WPI membranes used in a natural gas reforming operation were stable for over 6,000 hours (>8 months) at 500°C and 40 bar. Under the DOE Hydrogen Pathway Program (DE-FC-26-07NT43058) Pd membranes prepared by WPI exceed the DOE 2015 targets for H 2 flux, selectivity and stability. Furthermore, the scalability of the WPI technology has been shown to be relatively easy, and composite Pd/Cu and Pd/Au alloy membranes have been shown to be sulfur resistant and permeance recoverable.

42 ENGINEERING↗

Development of Novel Foaming Solutions for High Level Waste (HLW) Processing

Foaming occurs during treatment of high level waste (HLW) at Savannah River Site’s Defense Waste Processing Facility (DWPF) in the Chemical Process Cell (CPC) due to high gas generation from process steam and chemical off gas products. The presence of amphiphilic particles in the waste slurry stabilizes the foam. Efficient processing of HLW requires foam control, as foamovers lead to lower productivity and potential radioactive contamination of condensate streams. DWPF currently employs Antifoam 747, a surfactant produced by Momentive Performance Materials, as an antifoaming agent during waste treatment. While it controls foam, processing issues have arisen from its use. During DWPF chemical processing, antifoam must be effective up to 103°C and between a pH range of 3-13. Antifoam 747 is efficient at pH 6-8 but degrades outside this optimal pH range. Savannah River National Laboratory (SRNL) has identified multiple flammable antifoam degradation products during laboratory scale experiments.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Automation Technologies Impact on the Work Process of Nuclear Power Plants

The current cost associated with the work process of nuclear power plants necessities modernizing the work process by augmenting it with automation technologies. This work was performed to assess various automation technologies and the means by which they assimilate into the work process in order to make gains in cost savings in modern nuclear power plants. The goal was to identify key informational items that would be useful to members of industry who are undertaking the large effort to reduce costs through automation by identifying technology maturity levels, recent research, and an analysis of cost impacts of the work process. The technologies cost saving was categorized into low, medium, and high cost savings. Through this effort, a substantive literature review and analysis of recent technological and market trends was performed. The key areas of cost impact were identified through communication with users in industry from operations and maintenance organizations. The results were assembled into a list of work process steps and technologies that are ready be implemented or researched for the automating aspects of that step. This effort aims to present to utilities opportunities of cost saving that are achievable in the short term, and gaps for research organizations and vendors to consider for further research and development. The results of this effort generated a list of technologies that fit each of the three cost saving categories. Electronic work packages remain a high cost saving technology, but data mining and integration, smart scheduling, and dynamic risk models are also indicated to yield a high cost savings. Video applications, spatial mapping, and image processing and identification technologies appear to provide solid cost savings in the medium category, and rounding out the low cost saving areas are deployable technologies such as bar codes, communication tools, and electronic tags.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development of high-fidelity models for liquid fuel spray atomization and mixing processes in transportation and energy systems

Significant inadequacies of current models for multiphase flows present a major barrier to rapid development of advanced high-efficiency low-emissions combustion devices. Liquid spray atomization processes largely determine fuel-air mixture formation, which subsequently govern combustion and controls performance, emissions, and durability of a device. The current study presents a fundamentally-consistent framework to model the effects of breakup processes, liquid drop deformations, and internal flow dynamics on mass, momentum, and energy exchange functions. This framework builds on the Taylor Analogy Breakup (TAB) model which naturally quantifies local drop deformation dynamics. Real-fluid multicomponent thermodynamic property modeling and Gradient Theory simulations facilitate accurate calculations of molecular two-phase interface exchange functions, surface tensions forces, drop oscillations, and breakup processes. The analysis establishes that these drop dynamics, along with finite liquid viscosity effects, significantly alter gas-liquid exchange functions. The study quantifies these effects for the resulting drag coefficients of liquid drops and demonstrates significant deviations from the classic dynamic drag model, which is widely applied in modern simulations performed in academia and industry. This work also quantifies effects, which originate from gas-liquid coupling dynamics, on evaporation and heating rates. The analysis establishes that the consideration of these coupling dynamics modify mass and energy transfer rates even more significantly than the corresponding drag forces from momentum exchange. This physical complexity, however, is largely neglected in modern studies from academia and industry. A new set of equations is presented to improve the modeling of drop breakup processes to address the current shortcomings in the prediction of resulting drops proper- ties over the full range of relevant breakup conditions. The framework is based on a refined energy balance equation which explicitly enforces drop momentum conservation during the breakup process. The introduced modeling framework is entirely derived from conservation equations for mass, momentum, and energy and does not, as a consequence, introduce new modeling constants. The significance of the developed modeling advances to fuel injection processes is demonstrated using Large Eddy Simulation (LES) with a Lagrangian-Eulerian modeling approach.

42 ENGINEERING↗

DE-FE0026098 Final Report - Advanced Materials and Manufacturing Processes for SOFC Power Systems Revision 1

The aim of the project is to qualify an integrated material set and processing solution for selected metallic components of an advanced integrated stack block. As the integrated stack block is the “engine” of the solid oxide fuel cell power system, the project will also support significant cost reductions, increased reliability, and improved performance of the LG Fuel Cell Systems Inc. (“LGFCS”) cell and stack technology to be included in the initial commercial product offering. In the proposed work an integrated material set, and processing solution will be developed using powder metals processing which has been proven to be an enabling technology capable of delivering net or near net shape components, as well as for creating compositions, microstructures, and properties that are otherwise unattainable. Several advanced manufacturing processes will be screened to select one or more that are most advantageous for the selected metallic components when produced at commercial volumes. This work will be accomplished through the integration of metallurgists and processing engineers from Carpenter Technology, with the product design and cost engineers from LGFCS. The expected outcome of the proposed work is an optimized material set and processing solution that will reduce the current cost.

03 NATURAL GAS↗

Frit Recommendation For Sludge Batch 9 Coupled Operation With The Salt Waste Processing Facility

Prior to the processing of Sludge Batch 9 (SB9) with Frit 803 at the Defense Waste Processing Facility (DWPF), assessments and experimental glass work were completed to support SB9 coupled processing with streams from the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). This previous work did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF) because the Product Composition Control System (PCCS) models limited the TiO2 concentration in glass to 2 weight percent (wt.%). These high activity streams from SWPF include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank (SSRT) as well as Cscontaining strip effluent (SE). The SWPF streams are expected to reach TiO2 concentrations in glass greater than 2 wt.% based on an MST strike of 0.4 g MST/L of salt solution. Therefore, revisions to the models contained in PCCS were completed to allow the evaluation of glasses containing greater than 2 wt.% TiO2, but less than 6 wt.%. Since the initial SB9 qualification for ARP-MCU coupled operation, additional Tank 40 analyses have been completed, which served as the basis for an updated projection of the SB9 blend composition in Tank 40. This projection will be used to support SB9 coupled operation with SWPF in 2019. Savannah River Remediation (SRR) has requested that the Savannah River National Laboratory (SRNL) select a second frit to optimize SB9 coupled operation with SWPF. The selected frit would provide operational flexibility by allowing an acceptable waste loading (WL) to be targeted while maintaining an operating window of at least ± 4 percentage points around this target. The objective of this study was to select a second frit based on a paper-study utilizing Measurement Acceptance Region (MAR) assessments with DWPF PCCS. To support these assessments, SRNL developed a new method for rigorous and directed optimization of frit compositions, which allowed for rapid screening and an assessment of a large array of candidate frits, and the ability to simultaneously satisfy the following single and double MST strike operating scenarios.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Combined Sorbent/WGS-based CO 2 Capture Process with Integrated Heat Management for IGCC Systems

Southern Research has developed a combined CO 2 capture water-gas shift (WGS) process for integrated gasification combined cycle (IGCC) applications. A highly efficient regenerable magnesium based sorbent was prepared to remove CO 2 . It offers high and stable CO 2 capacity with minimum requirement for temperature and pressure swings. Under optimized conditions, the sorbents achieved up to 8 mmol/g of CO 2 working capacity and remained stable over 500 cycles of adsorption and regeneration. The selected WGS process achieved 96% CO per pass conversion and remained isothermal during the test duration that lasted over 500 cycles. The approach showed potential to reduce cost of electricity (COE) compared to the baseline carbon capture approaches. The process is for bench-scale and pilot development. In a commercial embodiment, syngas from the gasifier is cooled to warm gas conditions. It then enters the CO 2 sorbent-shift reactor that uses an efficient MgO-based CO 2 sorbent and a commercial catalyst to shift the CO to CO 2 and capture 90% + of the carbon. Using a dual-bed arrangement, the sorbent is regenerated periodically by a combination of pressure and temperature swing to maintain steady state conditions and produce a 95+ % CO 2 stream for sequestration. The hydrogen rich syngas is sent to the IGCC for power production. In addition to consolidating CO 2 capture with WGS, the proposed process reduces parasitic energy losses by operating at warm gas temperatures and reduces parasitic plant load (i.e., steam and auxiliary power) by reducing energy required for regeneration. The project consisted of 3 budget periods (BP) of laboratory-scale research and testing with go/no-go decisions after BP-1 and BP-2. In the 12 month BP-1, it was shown show that one promising sorbent maintained the required CO 2 capacity and durability of >1.5 mmol/g over 100 cycles. Also based on sorbent and WGS experiments in separate reactors and combined reactor modeling, it was shown that the process had the potential to capture 90% of the CO 2 at a lower than conventional amine-based approach. In the 18 month BP-2, a lab scale combined sorbent/WGS reactor system was built, commissioned, and tested with the promising sorbent from BP-1. 90% carbon capture was demonstrated over 100 cycles and it was shown that the process continued to have potential to capture 90% of the carbon at a cost that was less than the conventional amine-based approach. In the 6 month BP-3, a long term test was conducted using the best SR sorbent. The required durability of > 2 mmol/g was demonstrated after 500 cycles. Also, 90% carbon capture and 96% CO conversion was maintained over 1000 cycles. A technical and economic feasibility study was carried out to compare the proposed pre-combustion approach to a gasification plant employing a conventional pre-combustion approach and a conventional pulverized caol (PC) plant employing a conventional post combustion CO 2 capture approach.

01 COAL, LIGNITE, AND PEAT↗

Accounting for hydrological and microbial processes on greenhouse gas budgets from river systems (Final Report)

River systems have a disproportionately large impact on carbon and nitrogen cycling on this planet. For instance, despite their much smaller size in area, it is estimated that global carbon dioxide emission from river systems exceed the emission from lakes and reservoirs, and are on par with the estimated oceanic and land carbon sinks. Closing carbon and nitrogen budgets in river systems requires knowledge of end member greenhouse gas (GHG) products (e.g. carbon dioxide, nitrous oxide, methane), which typically have not been measured in river systems. Moreover, while the production of these gasses is thought to be microbially derived, little is known about microbial activities in sediments of large rivers, despite their potentially high influence on biogeochemical budgets. Typically, when we think of rivers we visualize the channels that carve through the earth, but this only represents a small part of the hydrologic exchange that a river participates in. Rivers are more than conduits; they are dynamically exchanging water and materials with surrounding terrestrial and subsurface environments. In fact, 96% of the carbon dioxide produced within river systems occurs in hyporheic zones, or sediment regions beneath and alongside a river where groundwater and river water mix. In fact, it is widely recognized that microbial processes in hyporheic zones, also known as the river’s liver, strongly influence the fate of carbon, nutrients, and contaminants transported through watersheds. Despite this general knowledge, observational studies linking nitrogen and carbon gas production to microbial activity, and studies of overall gas emissions, are limited across river systems, but especially absent from larger rivers. To identify microbial processes responsible for GHG emissions from large rivers, and to quantify their environmental drivers and dependencies, we selected the Columbia River as a representative field site. This is the largest river west of the North American Continental Divide, and produces a drainage and discharge roughly double of the Nile in Egypt. This river is also an important source for agricultural irrigation and generates more hydroelectric power than any other North American river. Dams manage the release of water in the river, with these changes in river discharge patterns strongly impacting microbial activities in hyporheic zones. Specifically, we target a region down-river from the Priest Rapids Dam (WA) associated with the PNNL SFA, where water discharge from the dam is highly controlled, resulting in 1.5 m fluctuations in river stage daily. This dynamic river stage creates an ideal research opportunity for investigating hydrological perturbations in GHG production, uptake, and emission from large river systems. In this exploratory 1-year project, we conducted data-driven field research to provide observations needed to support predictions about GHG flux from river ecosystems. Using porewater dialysis and surface flux measurements, we observed where and when GHGs were produced and is the emission impacted by river stage. Using meta-omics tools, we determined what microbial processes control production and consumption of GHG in these systems. Finally, we provided key observations to parameterize models that could predict the effect of environmental conditions on GHG emission in the Columbia River near shore environment, at the scale that the modeled processes operate. Closing knowledge gaps in the linkages between river stage, microbial processes, and GHG production and emission, as well as the spatial distribution and ecosystem dependencies of these processes, is necessary to better parameterize land surface models. We provide some of the first, detailed GHG measurements paired microbial activity from large river systems. Our findings have direct relevance to many other large rivers with flows altered by hydroelectric energy, reservoirs, snowmelt, tides, or agriculture.

54 ENVIRONMENTAL SCIENCES↗

Process Modeling of U-10wt% Mo Alloys Using Integrated Computational Materials Engineering

Low-enriched uranium alloyed with 10 wt% molybdenum (U-10Mo) has been identified as a promising alternative to highly enriched uranium as fuel for the nation’s high-performance research reactors. Manufacturing the U-10Mo alloy consists of multiple complex thermomechanical processes, which is highly challenging for computational modeling. The integrated computational materials engineering (ICME) concept supports building a microstructure-based framework to investigate the effect of manufacturing processes on the material microstructure. In this report, an ICME model that combines homogenization, hot rolling, annealing, and cold rolling is presented as an example of implementing the ICME concept for modeling the manufacturing processes of the U-10Mo alloy. The integrated model enables information to be passed between the different model components, leading to an improved prediction and a better understanding of microstructure across multiple processes. The integrated model was also implemented to investigate the variation of chemical composition, thickness of the zirconium interlayer, grain growth, and carbide redistribution and fracture of U-10Mo during the thermomechanical processes. With the homogenization model, a molybdenum concentration map can be reconstructed from any given microstructure, and the homogenization time needed to reach a desired homogenization level can also be approximated. The microstructure-based finite-element rolling model, shows that the homogenization process reduces the nonuniformity in the thickness of the zirconium interlayers on the U-10Mo. With the output from the rolling model, a statistical analysis of second-phase hard particles was conducted to quantify the particle redistribution and interparticle spacing between carbides during the deformation. Also, new stringer identification criteria were proposed to predict the correlation between stringer volume fractions and hot-rolling reduction. A macro-finite-element method hot-rolling model showed that higher reduction passes can be achieved within the mill separation force range, and a new “aggressive” rolling schedule was proposed. The model also showed the importance of can material on the quality of rolled foils, with stronger can materials resulting in hot-rolled U-10Mo free of defects (waviness, dog-boning). The deformation-induced recrystallization model demonstrated capability to use inputs from deformation simulations of strain accumulation in U-10Mo samples to predict grain growth behavior of the fuel during thermal treatment stages. Finally, a plane-strain compression mode simulated particle fracture and calculates the void volume fraction generated during cold rolling. The macro-finite-element method cold-rolling model showed that smaller diameter rolls are necessary to achieve the desired foil thickness.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Selection of Glasses in Support of the Sludge Batch 9 Sulfate Solubility Limit for Coupled Operation with the Salt Waste Processing Facility

For Sludge Batches 3 through 8, the sulfate (SO 4 2- )solubility limit for the Defense Waste Processing Facility (DWPF) has been determined by laboratory-scale crucible testing. In preparation for Sludge Batch 9 (SB9) processing, a comparison demonstrated that minor compositional differences existed between the Sludge Batch 8 (SB8)-Frit 803 and SB9-Frit 803 glass composition regions for sludge-only and coupled operations with the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). Thus, no experimental testing was necessary and the SB8 SO 4 2- limit of 0.65 wt.% was recommended for SB9 processing. This previous SB9 assessment did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF), which is anticipated to start operations in November 2019. These high activity streams will include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank (SSRT) as well as Cs-containing strip effluent (SE). The incorporation of these SWPF streams is expected to reach TiO 2 concentrations in glass greater than 2 wt.% based on single and double MST strike scenarios. In support of coupled operation with SWPF, the DWPF Product Composition Control System was revised and allows a TiO 2 concentration of up to 6 wt.% (minus measurement uncertainty) in glass. For the SB8-Frit 803 SO 4 2- solubility study, the maximum TiO 2 concentration evaluated was 0.94 wt.%. Since the influence of increased TiO 2 on the retention of SO 4 2- in the SB9 glass region is unknown, a test matrix of ten glass compositions has been proposed to determine whether the 0.65 wt.% SO 4 2- limit is still appropriate for SB9 coupled operation with SWPF. This report documents the development of a test matrix that will support this study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modeling of Pyroprocessing Hot Cell for Process Monitoring Evaluation

In this report, we examine studies undertaken to determine the applicability of applying measurements with a neutron counter within a pyroprocessing hot cell. The studies focus on the modeling of the hot cell and neutron counter in Monte Carlo N- Particle Code (MCNP) to determine expected radiation effects and applicability of neutron counters. The neutron counter of focus was the High Dose Neutron Detector (HDND) developed at Los Alamos National Laboratory (LANL). We studied the HDND to determine what would be the detector response under normal background conditions with operating process equipment as well as the background’s potential effect on counting applications involving a U/TRU ingot produced by the pyroprocessing electrorefiner. To perform this task, we were required to develop models of the pyroprocessing process cell and unit operations and generate source terms for various different times in the process. The data for the pyroprocessing materials came from SNL’s Safeguards and Security Process Model (SSPM) as part of MPACT’s advanced integration mission. This report will discuss the development of the pyroprocessing process cell and unit operations models in MCNP as well as various simulations to determine the applicability of the HDND for process monitoring efforts in the hot cell.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Recovery of Mo in LEU-Modified Cintichem Process at Elevated Mo Concentrations

Argonne National Laboratory with support from DOE’s National Nuclear Security Administration Office of Material Management & Minimization (M 3 ) is helping SHINE Medical Technologies in developing domestic production of Mo-99. SHINE is planning to produce Mo-99 by fission of low enriched uranium-235 (LEU) in a subcritical aqueous solution using accelerator-based neutron generation. SHINE’s subcritical system can contain ~250L of LEU solution that is processed through a recovery titania-based column to recover Mo, while the remaining LEU solution can be available for another irradiation. The Mo-containing solution is then fed into another titania-based concentration column to further concentrate the solution to allow for the final purification step using the LEU modified Cintichem (LMC) process. The LMC process is a relatively small-scale process that was designed to work with 50mL volumes. By concentrating the Mo solution that feeds into the LMC process from ~250L to ~50mL, the actual chemical concentration of Mo becomes important. It is estimated that up to ~15mM Mo concentration could be present in the LMC feed. Since the LMC process was originally proposed for purification of Mo after dissolution of irradiated U solid targets, the chemical concentration of Mo was not a concern, due to presence of only trace amounts of Mo.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Study of the Mu2e sensitivity to the $\mu^-\rightarrow e^+$ conversion process

The Mu2e experiment at Fermilab (Batavia, IL) will search for the coherent neutrinoless conversion of a muon into an electron in the electric field of an aluminum atom. The conversion process results in a monochromatic electron with energy slightly below the muon rest mass ($E_e= 104.97$ MeV). The experiment goal is to improve the previous measurement by four orders of magnitude and reach a single event sensitivity of $3 \times 10^{-17} $ on the conversion rate with respect to the muon capture rate. \\ The experiment will deliver a very intense pulsed negative muon beam to an aluminum target to achieve a total number of $10^{18}$ stopped muons in three years of running. Production and transport of the muons are accomplished with a sophisticated magnetic system comprised of a Production, a Transport and a Detector solenoid, with the last one hosting a Straw-tube Tracker and a Crystal Calorimeter. The entire detector region is surrounded by a Cosmic Ray Veto system. Mu2e is und er construction at the Muon Campus of Fermilab. \\ The INFN italian group is responsible for the design and construction of the crystal calorimeter, which plays a crucial role in the Mu2e measurement, providing particle identification capabilities fundamental for the rejection of the different background sources that can mimic a conversion electron. The calorimeter information allows also to improve the tracking performances it provides a fast standalone trigger for the experiment.\\ After a long R\&D phase, the final drawings see a calorimeter comprised of 1348 pure CsI crystals arranged in two annular disks. Each crystal is readout by two custom UV-extended Silicon Photomultipliers (SiPMs). Performances of the selected components were verified with an electron beam test, carried out in 2017 at the Beam Test Facility (BTF) at the National Laboratories of Frascati, on a large size prototype of 51 crystals and 102 SiPMs, confirming excellent energy ($\sigma_{E}/E = \mathcal{O }(10\%)$) and timing ($\sigma_{T} <500$ ps) resolutions in a! greement with the Mu2e specifications.\\ In the first chapters of this thesis, I describe my involvement in the calorimeter activities, with particular emphasis on the data analysis of the prototype energy response and resolution, that I was personally leading. Moreover, a description of the tuning of the simulation and the careful data-MC comparison is also reported.\\ An auxiliary measurement that can be performed with Mu2e is the search for a Lepton Number Violation (LNV) process where the negatively charged muon converts, without neutrinos, into a positron, $\mu ^{-} +N(A,Z) \rightarrow $ e$^+ +N(A,Z-2)$. At the moment of writing, Neutrinoless Double Beta Decay (0$\nu \beta \beta$) has set the most stringent limit on the LNV processes (T$^{0\nu \beta \beta}_{1/2} > 1.1 \times 10^{26} $ yr at 90$\%$ CL) with the GERDA experiment. In 0$\nu \beta \beta$ a pair of free electrons is created in the transformation from a nucleus $(A, Z)$ into its daughter $(A, Z + 2)$, namely: $(A,Z)\rightarrow (A, Z+2) =2 e^-$. Similar transitions could proceed through the emission of a pair of positrons, double electron capture (EC), or EC and single emission of a positron, with the nucleus changing from $(A, Z)$ to $(A, Z - 2)$. All these variations are equally interesting when discussing of new Physics, since they all manifest a non-conservation of the number of leptons.\\ Moreover, recent studies show that, because of flavor effect, off-diagonal processes, such as the $\mu^- -e^+$ conversion, can have their rate enhanced with respect to processes occurring in the $e-e$ sector.\\ Mu2e will search for $\mu^- + Al(27,13) \rightarrow e^+ +Na(27,11)$, only considering ground state transition, producing a conversion positron with energy $E_{e^+}= 92.32 $ MeV.\\ This thesis is focused on this search. In particular, I developed an algorithm to account for the radiative corrections to be applied to the conversion positrons that resulted in a few percent reduction in s ignal acceptance.\\ One of the most prominent background to ! this sear! ch is the Radiative Muon Capture (RMC) $ \mu+ N(Z,A)\rightarrow \gamma + \nu_{\mu} + N(Z-1,A)$. The produced photon can convert, virtually or in the detector materials (in the following referred as internal or external conversion respectively) in an electron-positron pair, producing positrons with energies approaching the expected conversion energy. Experimental results from previous experiments indicate the RMC endpoint ($\kmax$) to be of $\sim$ 90 MeV. A precise modeling of this background is relevant due to the proximity of the photon spectrum endpoint to the positron conversion energy. The calorimeter group is obviously interested to reconstruct the RMC distribution having also the opportunity to improve the current knowledge of the process. \\ A toy MC has been developed to evaluate the number of $e^+$ from external RMC background in the signal window. Knowing this value and ev...

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Bioprocessing Separations Consortium Three-Year Overview: Technical Advances, Process Economics Influence, and State of the Science

The Bioprocessing Separations Consortium solves separations challenges that are unique to bioprocessing. To do this, the Consortium uses two methods: applying existing technologies to new challenges and developing new technologies that may address these unique challenges better than today’s commercial technologies. In its research and development, the Consortium leverages its three core capabilities: materials development and evaluation, process development, and analysis and computation. In its first three years, from 2016 to 2019, the Consortium addressed four critical challenges in biochemical and thermochemical processing. First, the Consortium targeted the fractionation of lignin to enable valorization of this portion of biomass that offers diverse, complex, and valuable building blocks and products. Second, Consortium researchers developed technologies to enable process intensification, which can reduce equipment needs, energy consumption, and waste generation, thereby cutting bioprocessing capital costs and rendering processes more efficient. Third, the Consortium sought to recover carbon from dilute aqueous streams that are common to bioprocessing; recovering dilute carbon can improve process efficiency and economics. Finally, Consortium researchers designed and developed new materials and catalysts to reduce targeted foulants and poisons in bioprocessing streams that can limit the lifetime of downstream catalysts or fermenting microorganisms. Table 1 lists the technologies that were examined and places them in the context of the Consortium’s capabilities, types of bioprocesses, and critical challenges in bioprocessing separations. Overall, across these projects, we have developed separations technologies for 10 bioprocesses, addressed 9 target compounds in bioprocessing, developed 10 materials, and evaluated 4 processes for cost and sustainability.

09 BIOMASS FUELS↗

Bioprocessing Separations Consortium Three-Year Overview: Technical Advances Process Economics Influence, and State of the Science

The Bioprocessing Separations Consortium solves separations challenges that are unique to bioprocessing. To do this, the Consortium uses two methods: applying existing technologies to new challenges and developing new technologies that may address these unique challenges better than today’s commercial technologies. In its research and development, the Consortium leverages its three core capabilities: materials development and evaluation, process development, and analysis and computation. In its first three years, from 2016 to 2019, the Consortium addressed four critical challenges in biochemical and thermochemical processing. First, the Consortium targeted the fractionation of lignin to enable valorization of this portion of biomass that offers diverse, complex, and valuable building blocks and products. Second, Consortium researchers developed technologies to enable process intensification, which can reduce equipment needs, energy consumption, and waste generation, thereby cutting bioprocessing capital costs and rendering processes more efficient. Third, the Consortium sought to recover carbon from dilute aqueous streams that are common to bioprocessing; recovering dilute carbon can improve process efficiency and economics. Finally, Consortium researchers designed and developed new materials and catalysts to reduce targeted foulants and poisons in bioprocessing streams that can limit the lifetime of downstream catalysts or fermenting microorganisms. Table 1 lists the technologies that were examined and places them in the context of the Consortium’s capabilities, types of bioprocesses, and critical challenges in bioprocessing separations. Overall, across these projects, we have developed separations technologies for 10 bioprocesses, addressed 9 target compounds in bioprocessing, developed 10 materials, and evaluated 4 processes for cost and sustainability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Process Mining in Healthcare - A Case Study for the Corporate Data Warehouse of the Veterans Affairs Office

Researchers at Oak Ridge National Laboratory are working with the Veteran’s Affairs Administration Office (VA) on a series of studies having the objective of detecting harmful anomalies (i.e., hazards) in VA health information technology systems using its Corporate Data Warehouse (CDW). This progress report describes an ORNL study focused on applying a process mining methodology to that CDW database. In the approach presented herein, process mining methodology is combined with additional software tools, metrics, and filters to permit a quick examination of large volumes of data to address specific research questions. In this work, a case study is presented in which the performance of the combined ORNL approach is evaluated by applying it to the CDW database. We performed an evidence-based study to effectively identify process models and to define metrics of frequency and performance for four health care domains: Consults, Radiology, Laboratory, and Outpatient Medication (RxOut) orders. Additionally, we classified the termination classes of the different cases by mapping to the OASIS Human Task Specification standard. We demonstrated, via process mining, that extracted raw data can aid the understanding of the flow of information in different clinical order processes. We showed that using the stepby- step approach described herein to discover processes in raw electronic health record data can be extremely effective in revealing irregular state transitions in the data and understanding clinical order information flows that are not apparent in analyzing the CDW as it is, without feature extraction.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

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