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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Innovation and Winemaking By-Product Valorization: An Ohmic Heating Approach

The by-products of the winemaking process can represent chances for the development of new products. This study focused on the “zero waste” strategy development for by-products generated within winemaking from white and red grape varieties cultivated in the north of Portugal. The phytochemical properties of by-products were identified and characterized. Ohmic heating (OH) as a green extraction method was also applied to grape pomace due to their unknown effects on centesimal and phytochemical compositions. Both protein and carbohydrates were shown to be higher in grape bagasse than in stems. Additionally, red bagasse is richer in bioactive compounds (BC) than white bagasse. The sugar content was 21.91 and 11.01 g/100 g of DW in red and white grape bagasse, respectively. The amount of protein was 12.46 g/100 g of DW for red grape bagasse and 13.18 g/100 g of DW for white. Regarding the extraction methods, two fractions were obtained, a liquid fraction and solid (the remainder after the methodology application). OH presented a higher antioxidant capacity than a conventional (CONV) method. In addition, both extracts presented similar contents of anthocyanins, e.g., delphinidin-3-O-glucoside, petunidin-3-O-glucoside, and peonidin-3-O-glucoside. The solid fraction presented higher amounts of protein and phenols bound to fiber than CONV, which allows its use as a functional ingredient. In conclusion, OH can be an alternative extraction method compared with CONV methods, avoiding non-food grade solvents, thus contributing to circular economy implementation.

Coelho, Marta C. (ORCID:000000026542175X)↗
NASA NTRS1985

Thermal management of high power space based systems

Conventional techniques of using a portion of the spacecraft skin for radiation of waste heat will be inadequate for high powered payloads (50 to 100 kWe) due to the lack of sufficient area. A Shuttle type system using a pumped single phase fluid loop could be scaled up to higher power but this type of system would require excessive pump power and weight. A pumped two-phase heat transfer loop has a much lower pumping requirement due to the higher latent heat of vaporization of the fluid in comparison to the sensible heat it can absorb through a temperature change. Concepts for an evaporator and a condenser for a pumped two-phase system are described. The condenser uses capillary grooves and a separate pumped condensate return line to achieve high heat transfer coefficients and stable operation due to the separation of the vapor and liquid flows. The cold plate evaporator uses wicks to contain the liquid and transport it to the heated surface. It can also function as a condenser for warming components. Control concepts for the cold plate are discussed. Concepts for deployment or erection of large space radiators are also considered.

Hwangbo, H.↗
DOE OSTI2020

Achieving high hydrogen productivities of 20 L/L-day via microbial electrolysis of corn stover fermentation products

Microbial electrolysis cells have the potential to generate renewable hydrogen from underused waste streams, however current devices have not reached very large productivity targets using real waste products at any scale. This study used a waste from fermented corn stover known as corn stover fermentation product to reach performance metrics that could be commercialized, if adequately scaled. Average current densities in MECs with mature biofilms reached 17.9 +/- 1.6 A/m 2 at an organic loading rate of 30 grams of chemical oxygen demand per liter of anode volume per day (g/L-day), reaching a maximum current density of 27.2 +/- 2.9 A/m 2 . Hydrogen productivities reached 20.2 +/- 2.0 L of H 2 per L anode volume per day (L/L-day). These represent the highest current densities and highest hydrogen productivities using a complex feedstock in a microbial electrolysis cell. Organic acids and sugars present in untreated substrate were converted at high percentages in MECs, with most above 90% conversion, at organic loading rates of 10, 20, and 30 g/L-day. The effect of periodic high liquid flow rates through the anode on performance was assessed. These tests, called pulsing, showed that hydrogen productivities and current densities increased most dramatically as flow was pulsed every hour at a baseline flow rate of 0.3 mL/min. These productivities show promise for high performance systems, if adequate scale up can be achieved.

09 BIOMASS FUELS↗
NASA NTRSDate not supplied

Internal Architecture of the Common Habitat

The core stage liquid oxygen tank of the Space Launch System can be manufactured as a habitat instead of as a propellant tank, with a common design such that it is equally suitable for use in 0g, 1/6g, 3/8g, 1g, or variable artificial gravity. This Common Habitat can be the central element of a human spaceflight architecture that encompasses the Moon, Mars, and other destinations within the inner solar system. The Common Habitat is specifically used within an alternative architecture study (that is not part of the current NASA baseline) as the core habitation element within a Lunar Basecamp, Mars Basecamp, and the Deep Space Exploration Vehicle. The Common Habitat internal architecture applies a design philosophy to separate crew functions according to deck. The lower deck is reserved for private functions. It includes eight private crew quarters and four waste and hygiene clusters – each with a private waste management compartment, private full body hygiene compartment, and foyer/clothes changing area. The mid deck is primarily allocated to mission-related working functions. It includes an exercise facility, fabrication / maintenance / repair facility, physical science laboratory (physics, geology, and astronomy), and life science laboratory (biology and human research). The mid deck also has four external hatches, clocked one every 90 degrees, centered on the vehicle vertical centerline. Each hatch has a 60-inch tall by 40-inch wide opening with the mid deck floor 16 inches below the bottom lip of the hatch opening. The upper deck is primarily allocated to group or social functions. It includes a large galley, wardroom with projector and display screen, plant growth chambers, bulk stowage, command and control station, medical facility, hygiene compartment, and vehicle subsystems. A Vertical Translation System, based in part on results from a GrabCAD public challenge, enables crew and equipment traverse between habitat decks in 0g, 1/6g, 3/8g, and 1g. A 40-inch by 60-inch vertical translation corridor ensures that anything that can fit through the external hatches can also be moved from deck to deck. The system includes three component systems: a deploying floor to safety barrier system that folds down to become a traversable floor when vertical translation is not in use and deploys to become a safety barrier during vertical translations; a folding ladder that stows in the ceiling when not in use; and an elevator platform that can attach to the ladder for cargo or incapacitated crew member transport. This system is complemented by a Horizontal Translation System, also based in part on the same GrabCAD challenge, provides for horizontal crew translation in microgravity but requires no vehicle reconfiguration for fractional or whole gravity operation. It relies primarily on gecko-inspired grippers, originally developed at Stanford and NASA JPL, attached to footwear to enable crew to emulate walking. Some handrails are also strategically placed throughout the Common Habitat to aid translation in both gravity and microgravity environments.

Common Habitat↗
DOE OSTI2020

Sustainable energy and fuels from biomass: a review focusing on hydrothermal biomass processing

Fossil fuels are being replaced with renewable energy resources (biomass and biomass waste, solar, geothermal, wind, etc.) to ensure sustainable development, reduce the dependence on fossil fuels, address environmental challenges including climate change. Today, biomass produces 5 × 10 19 kJ of energy/year, which corresponds to 10% of the annual global energy consumption. Considering the variety of biomass resources, this value is predicted to reach 150 × 10 19 kJ by 2050. Biomass may become even more important for use as an energy resource and chemical raw material in the 21st century. Hydrothermal biomass conversion stands out as a promising and alternative technology. Methods such as traditional gasification and pyrolysis require dry biomass. Hydrothermal techniques have been developed to eliminate the cost and time required for drying biomass. The purpose of this process is to decompose biomass with a high moisture content into small molecules and reduce its oxygen content to obtain liquid fuels or valuable chemicals. Finally, this review presents the current and future state of energy, energy sources, biomass properties and biomass conversion technologies with a focus on hydrothermal technologies.

09 BIOMASS FUELS↗
DOE OSTI2026

Assessing Structural, Thermal, and Functional Characteristics of Marigold Flower Protein as a Sustainable Food Ingredient

The demand for sustainable and alternative protein sources has been on the rise, driving interest in the valorization of underutilized plants. This study evaluated Calendula officinalis (marigold), a common floral waste, as a sustainable alternative protein source for the food industry. The primary objective of this study was to investigate the physicochemical properties of protein fractions from Calendula officinalis flower to evaluate their potential as a novel protein ingredient. Extraction of the Calendula officinalis flower yielded 92.17% of the crude protein. A sequential extraction of albumin, globulin, glutelin, and prolamin from marigold flower revealed albumin as the dominant fraction (65.47%) and exhibited the highest protein functionality, including water-holding capacity (2.37 g/g), oil-holding capacity (2.49 g/g), and emulsifying capacity (65.22 mL/g). Compared with other protein fractions, glutelin showed a relatively high emulsifying and foaming capacity (EC: 59.13 mL/g; FC: 16.23%). Differential scanning calorimetry revealed high thermal stability for albumin (T p = 105.28 °C) and glutelin (T p = 97.6 °C). Sodium Dodecyl Sulfate–Polyacrylamide Gel Electrophoresis (SDS-PAGE) and Liquid Chromatography–Mass Spectrometry (LC-MS) confirmed the presence of abundant low-molecular-weight polypeptides (<37 kDa), which enhanced emulsification, while scanning electron microscopy revealed porous structures aligned with hydration properties. Antioxidant activity was higher in albumin and glutelin, linked to surface hydrophobicity. LC-MS/MS identified 33 short-chain proteins, including oxidoreductase proteins and lipid-transfer proteins. Findings highlight marigold flower proteins as a sustainable, functional ingredient for a diverse range of food applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Internal Architecture of the Common Habitat

The core stage liquid oxygen tank of the Space Launch System can be manufactured as a habitat instead of as a propellant tank, with a common design such that it is equally suitable for use in 0g, 1/6g, 3/8g, 1g, or variable artificial gravity. It is capable of sustaining a crew size of eight for missions up to 1200 days in duration. This Common Habitat can be the central element of a human spaceflight architecture that encompasses the Moon, Mars, and other destinations within the inner solar system. Within this archtiecture, the Common Habitat is specifically used as the core habitation element within a Lunar Base Camp, Mars Base Camp, and the Deep Space Exploration Vehicle. The Common Habitat internal architecture applies a design philosophy to separate crew functions according to deck. The lower deck is reserved for private functions. It includes eight private crew quarters and four waste and hygiene clusters – each with a private waste management compartment, private full body hygiene compartment, and private foyer/clothes changing area. The mid deck is primarily allocated to mission-related functions. It includes an exercise facility, fabrication / maintenance / repair facility, physical science laboratory (physics, geology, and remote sensing: astronomy, heliophysics, planetary science, and Earth science), and life science laboratory (biology and human research). The mid deck also has four external hatches, clocked one every 90 degrees, centered on the vehicle vertical centerline. Each hatch has a 60-inch tall by 40-inch wide opening with the mid deck floor 16 inches below the bottom lip of the hatch opening. The upper deck also includes some mission functions, but is primarily allocated to social functions. It includes a large galley, wardroom with projector and display screen, plant growth chambers, bulk stowage, command and control station, medical facility, hygiene compartment, and vehicle subsystems.

Habitability↗
DOE OSTI2021

An exploration of benchtop X–ray emission spectroscopy for precise characterization of the sulfur redox state in cementitious materials

The evolution of sulfur chemistry in cements is best known in the bailiwick of failure mechanisms via sulfate attack but is equally important for its contributions to the reduction capacity of cementitious materials often used for immobilizing nuclear waste streams destined for long-term storage, e.g., cementitious waste forms (CWF). The total reduction capacity of CWFs, encompassing contributions from both S and Fe reductants, and its implications toward radionuclide immobilization is most often studied by destructive wet chemistry methods requiring acid digestion in the presence of Ce(IV) and subsequent titration and colorimetric interpretation. Here, we investigate a similarly analytical but nondestructive alternative, benchtop high resolution wavelength-dispersive x-ray fluorescence spectroscopy, most commonly known as x-ray emission spectroscopy (XES), for probing the bulk sulfur oxidation state distribution. We present here an initial investigation of S XES, including an improved experimental protocol for lab XES of inhomogeneous samples, both as a complement to the Ce(IV) test and for new scientific opportunities that it enables for observing changes in sulfur chemistry. We discuss future improvements and opportunities, including: (1) the practical challenges associated with coordinating XES and Ce(IV) liquid extraction for a more comprehensive perspective on reduction capacity and for a high-precision evaluation of uncertainties in the Ce(IV) test; and (2) new opportunities, due to the nondestructive nature of XES, for controlled evolution studies aimed at elucidating specific chemical responses of CWF’s exposed to invasive gas or liquid species or to accelerated aging by radiative dose or thermal treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Task 2.1: Adsorption-Based ISPR for BETO-Relevant Bioproducts

This task focuses on the development of adsorption-based in situ product recovery (ISPR) integrated with simulated moving bed chromatography for the recovery and purification of carboxylate products that are relevant to BETO. ISPR has been pursued previously in the Separations Consortium to recover carboxylic acids near or below their pKa values with liquid-liquid extraction coupled to downstream distillation. However, there are many acid products in the BETO portfolio that require neutralization well above their pKa values wherein ISPR could still be a major benefit to the bioprocess performance, including muconic acid, beta-ketoadipic acid, 3-hydroxypropionic acid, itaconic acid, butyric acid, and others. In this task, we are combining dynamic filtration with a rotating ceramic disk, resin capacity measurements, tailored resin synthesis, and simulated moving bed chromatography into an ISPR system that can be used to recover BETO-relevant carboxylates from bioreactor cultivations. We are working across process scales and using computational modeling where applicable alongside techno-economic analysis and life cycle assessment to understand major cost, energy, and GHG emissions drivers. The impact of this project will be a bench-scale integrated approach to recover carboxylate products in situ, which will reduce the waste generation from biological carboxylate production processes and improve the productivities of biological systems.

bio-based acid↗
DOE OSTI2021

Determination of Seven Organic Impurities in FD&C Yellow No. 6 by Ultra-High-Performance Liquid Chromatography

The U.S. Food and Drug Administration (FDA) batch certifies FD&C Yellow No. 6 (Y6) to ensure that the color additive meets requirements published in the Code of Federal Regulations (CFR), including specifications for seven organic manufacturing impurities consisting of two intermediates, a reaction by-product, an impurity originating from an intermediate, and three subsidiary colors. An ultra-high-performance liquid chromatography (UHPLC) method was developed and validated for determining seven organic impurities in Y6. For comparison, the currently used high-performance liquid chromatography (HPLC) method was also validated. The new UHPLC method uses a 1.7 µm particle size biphenyl column with aqueous ammonium formate and methanol as eluants. Analytes are identified by comparing their retention times and UV-visible spectra to those of reference standards. Calibration is performed in the presence of the dye matrix and analyte levels are determined from their peak areas. UHPLC and HPLC validation studies obtained linear calibration curves and excellent values for limits of detection, limits of quantitation, recovery, repeatability, and intermediate precision for all analytes. Survey analyses of 30 samples using the UHPLC and HPLC methods yielded results that were consistent within experimental error; however, the UHPLC method provided more accurate results for two analytes that coelute using the HPLC method. The UHPLC method satisfies the accuracy and precision requisites for routine certification of Y6. The UHPLC method is faster and generates less waste than the HPLC method while delivering better sensitivity, separation, and accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Heat transfer and core neutronics considerations of the heat pipe cooled thermionic reactor

The authors summarize the results of detailed neutronic and thermal-hydraulic evaluations of the heat pipe cooled thermionic (HPTI) reactor design, identify its key design attributes, and quantify its performance characteristics. The HPTI core uses modular, liquid-metal core heat transfer assemblies to replace the liquid-metal heat transport loop employed by in-core thermionic reactor designs of the past. The nuclear fuel, power conversion, heat transport, and heat rejection functions are all combined into a single modular unit. The reactor/converter assembly uses UN fuel pins to obtain a critical core configuration with in-core safety rods and reflector controls added to complete the subassembly. By thermally bonding the core heat transfer assemblies during the reactor core is coupled neutronically, thermally, and electrically into a modular assembly of individual power sources with cross-tied architecture. A forward-facing heat pipe radiator assembly extends from the reactor head in the shape of a frustum of a cone on the opposite side of the power system from the payload. Important virtues of the concept are the absence of any single-point failures and the ability of the core to effectively transfer the TFE waste heat load laterally to other in-core heat transfer assemblies in the event of multiple failures in either in-core and radiator heat pipes.

Determan, W. R.↗
DOE OSTI2022

Alpha/beta-gated gamma–gamma spectroscopy of mixed fission products for trace analysis

This experiment demonstrated that some hard-to-detect fission products can be quantified directly from mixed fission product samples using advanced radio-emission spectroscopy techniques. A gamma/gamma coincidence detector was combined with a custom liquid scintillation counter to evaluate the benefits of alpha and beta coincident and anti-coincident analysis of mixed fission product samples. Reduction factors in the minimum detectable activity (MDA) relative to traditional gamma counting were quantified for a set of radionuclides. For isotopes like 91Y, 144Ce, 147Nd, and 153Sm MDA reductions of factors of 1-2 were observed using optimized beta thresholds. Using beta anti-coincidence counting reductions of factors 3-5 were observed for isotopes like 89Sr, 95mNb, 115Cd, and 137Cs and factors of 5-7 for isotopes like 235U using alpha coincidence counting. The selectivity of gamma/gamma coincidence and reduction in backgrounds using beta gating were also demonstrated with 136Cs and 153Sm. The improvements observed in the detection sensitivity of fission products and actinides achieved by combining time-correlated radiation signatures is significant and of value to applications such as nuclear fission physics, environmental monitoring for nuclear waste, reactor accidental releases, and nuclear forensics.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Simulation of Particulate Transport for Delivery of Solid Amendments into the Subsurface: FY24 Status Report

For particulate-based amendments to be viable for field-scale remediation at the Hanford Site (e.g., 200 DV-1 Operable Unit), particles need to be delivered a sufficient radial distance from an injection well and retained at concentrations high enough for effective treatment. An accurate description of the particle radius of influence (ROI) is critical for developing an overall remediation strategy. However, field-scale particle simulations are currently limited due to insufficient simulation capabilities and a lack of experimental data to validate and parameterize particle transport models. To help build toward field-scale deployment, this fiscal year (FY) we have (1) developed a pre screening tool to estimate particle transport, (2) implemented particle transport models within PFLOTRAN, and (3) conducted preliminary estimations of particle ROI. While field-scale numerical simulations will ultimately be necessary before remedy design and field implementation, we have developed a pre-screening tool that offers valuable estimations of expected particle injectability and ROI in a 1-D system. The advantage of the tool is that it does not require extensive laboratory experiments and instead makes predictions based solely on routine laboratory measurements. This tool can assist in down-selection and decision-making by identifying which particle amendment systems are worth pursuing in future laboratory experiments, such as 1-D column tests and beyond. With any system, scaling up from the lab to the field presents challenges. Currently, there is no field data available for model calibration or validation. However, the theoretical particle models being developed herein are the best tools available to guide progress toward field deployment. To help bridge this gap and verify model predictions, larger-scale lab experiments are being proposed. To advance simulation capabilities, six particle transport models are being integrated into the reactive transport simulator PFLOTRAN. These include colloid filtration theory (CFT) and five additional particle transport models (M1-M5). Each model, from M1 to M5, progressively incorporates additional particle transport and retention processes. Ultimately, the simplest model capable of accurately describing 1-D column data will be selected and parameterized. During FY24, the CFT and M1 model have been fully implemented within PFLOTRAN. Using an existing 1 D column experiment, the two currently implemented particle transport models (CFT and M1), and associated parameters, were fit to this experiment. While simpler model formulations are helpful for estimations, these formulations could not fully describe particle transport and retention behavior in the previous 1-D column experiment. Thus, additional complexities will need to be considered, which will be accounted for in the M2-M5 model formulations. Additionally, because a viscous, shear thinning fluid was required to keep particles in suspension, considerations for flow will also need to also be accounted for. Therefore, a new immiscible two-phase flow mode is currently being implemented in PFLOTRAN. With some modifications, this new flow module could also support simulation of non-Newtonian liquid amendments, foams, and emulsions. We also estimated the expected ROI of solid amendments using 1-D simulations. The average predicted ROI was approximately 15 ft for micron-sized zero valent iron (mZVI) suspended in xanthan gum (XG). Using the pre screening tool and ROI estimates, additional amendment-delivery laboratory characterization and experiments are proposed. The results from additional experiments can be used to validate and parametrize particulate transport model formulations, which will ultimately provide predictive capabilities for field amendment-delivery systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Evaluation of Ammonia Discharge into PUREX Crib 216-A-37-1 and Nitrogen Species Fate in the Subsurface

Based on published data, this report identifies potential fate and transport mechanisms for the ammonium hydroxide condensate that was discharged to 216-A-37-1 Crib from Hanford fuel rod decladding before PUREX dissolution and separation operations. Crib 216-A-37-1 received 377 million liters of alkaline condensate discharged from March 1977 through April 1989. The following major processes were identified as controlling the ammonia (NH 3 ) fate and transport: 1. Liquid migration rates through the vadose zone 2. NH 3 microbial oxidation to nitrite and nitrate 3. Ammonia species [NH4 + , NH 3 (aq)] sorption to sediments 4. NH3 precipitation reactions after pH buffering occurs in sediments The travel time through the vadose zone was estimated to be 2.5 to 9 months during periods of high subsurface discharge rates. These travel times are based on tritium migration through the vadose zone, a co-contaminant also discharged to the 216-A-37-1 crib.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Desiccants enabling energy-efficient buildings: A review

Buildings account for about 39% of the total energy consumption in the United States. Developing highly energy-efficient and environmentally friendly systems that are either actively or passively integrated into buildings plays a crucial role in decarbonizing the building sector. Among various technologies, desiccant-based energy systems have received particular attention in recent years due to their unique advantages, such as being thermally driven using low-grade waste or solar energies and being reliable over a wide range of operating ranges. Extensive research efforts have been exerted on desiccant-enabled technologies at both material and system levels aiming to increase their performance and achieve high technological readiness levels. The present review paper comprehensively discusses research works made at the system level. It overviews desiccant-based air conditioning systems, desiccant-based humidity pumps, desiccant-based thermal energy storage systems, and desiccant-based appliances. The study identifies challenges and opportunities to accelerate the commercialization of desiccant-enabled technologies. It is found that desiccant materials offer great promise to improve energy efficiency and functionality of future buildings through decoupling the latent and sensible cooling loads in air conditioning systems, humidity pumps integrated into building facades, and next-generation appliances. However, commercial viability and widespread acceptance of desiccant-based systems have been hampered by several major obstacles, including liquid and air flow mal-distribution and inferior thermo-physical properties of desiccant materials resulting in low ab/adsorption and regeneration rates and bulky/costly systems.

25 ENERGY STORAGE↗
DOE OSTI2020

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Development and Field Testing Novel Natural Gas Surface Process Equipment for Replacement of Water as Primary Hydraulic Fracturing Fluid (Final Report)

Southwest Research Institute® (SwRI ® ), Schlumberger Technology Corporation (SLB), and Chevron Corporation ® (Chevron) developed a novel, optimized, and lightweight process for natural gas (NG) to replace water as a low-cost fracturing medium with a low environmental impact. Hydraulic fracturing is used to increase oil and NG production by injecting high-pressure fluid, primarily water, into a rock formation, which fractures the rock and releases trapped oil and NG. This method was developed to increase yield and make feasible production areas that would not otherwise be viable for large-scale oil and NG extraction using traditional drilling technologies. Since the fracturing fluid is composed of approximately 90% water, one of the principal drawbacks to hydraulic fracturing is its excessive water use and associated large environmental footprint. According to recent data collected at fracture sites within the United States, fracturing applications in North America can consume as much as 9 million gallons of water per well. During the fracturing process, some of the fracturing fluid is permanently lost and the portion that is recovered is contaminated by both fracturing chemicals and dissolved solids from the formation. The recovered water or flow-back represents a significant environmental challenge, as it must be treated before it can be reintroduced into the natural water system. Although there is some recycling for future fracturing, the majority of the flow-back water is hauled from the well site to a treatment facility or to an injection well for permanent underground disposal. To mitigate these issues, an optimized, lightweight and modular surface process using NG to replace a majority of the water was developed as a cost-effective and environmentally clean fracturing fluid. Using NG will result in significantly less consumption since the gas that is injected as a fracturing fluid will be mixed with the formation gas and extracted as if it were from the formation itself. This process will minimize the collection, waste, and treatment of large amounts of water and will reduce the environmental impact of transporting and storing the fracturing fluid. There are two major steps involved in utilizing NG as the primary fracturing medium: (1) increasing the supply pressure of NG to wellhead pressures suitable for fracturing and (2) mixing the required chemicals and proppant needed for the fracturing process at these elevated pressures. The second step (NG-proppant mixing at elevated pressures) still requires demonstration; but very similar processes have been demonstrated in the field with other gases such as nitrogen (N 2 ) and carbon dioxide (CO 2 ). However, the first step (a compact, on-site unit for generating high-pressure NG at costs feasible for fracturing) has not been developed and is currently not commercially available. Due to the inherent compressibility of NG, more energy is required to compress the gas than what is required to pump water (or other incompressible liquids) to the very high pressure required for downhole injection. This project aimed to develop a novel, hybrid method to overcome this challenge. The project accomplishments and findings are discussed in this report. Ultimately, the research and development efforts described herein demonstrate that fracturing with NG foam is a feasible alternative to using water.

02 PETROLEUM↗
DOE OSTI2020

EBS Task Force: Task 9/FEBEX Modeling Final Report: Thermo-Hydrological Modeling with PFLOTRAN

This report outlines Sandia National Laboratories modeling studies applied to Stage 1 and Stage 2 of the Full-scale Engineered Barriers Experiment in Crystalline Host Rock (FEBEX) in situ test for the SKB EBS Task Force Task 9. The FEBEX test was a full-scale test conducted over ~18 years at the Grimsel, Switzerland Underground Research Laboratory (URL) managed by NAGRA. It involved emplacing simulated waste packages, in the form of welded cylindrical heaters, inside a tunnel in crystalline granitic rock and surrounded by a bentonite barrier and cement plug. Sensors emplaced within the bentonite monitored the wetting-up, heating, and drying out of the bentonite barrier, and the large resulting data set provides an excellent opportunity for validation of multiphysics Thermal-Hydrological (TH), Thermal-Hydrologic-Chemical (THC), and Thermal-Hydrological-Mechanical (THM) modeling approaches for underground nuclear waste storage and the performance of engineered bentonite barriers. The present status of the EBS Task Force is finalizing Task 9, which follows years of modeling studies of the FEBEX test, by many notable modeling teams (Gens et al., 2009; Sanchez et al. 2010; 2012; Samper et al., 2018). These modeling studies generally use two-dimensional axisymmetric meshes, ignoring threedimensional effects, gravity and asymmetric wetting and dry out of the bentonite engineered barrier. This study investigates these effects with use of the PFLOTRAN THC code with massively parallel computational methods in modeling FEBEX Stage 1 and Stage 2 results. The PFLOTRAN numerical code is an open source, state-of-the-art, massively parallel subsurface flow and reactive transport code operating in a high-performance computing environment (Hammond et al., 2014). Section 2 describes the applied partial differential equations describing mass, momentum and energy balance used in this study, considerations derived by assuming phase equilibrium between gas and liquid phases, constitutive equations for granite, cement plug, and bentonite domains, and specific approaches for use inthe PFLOTRAN code. Section 3 describes the geometry, meshing, and model set-up. Section 4 describes modeling results, Section 5 compares modeling results to field testing data, and Section 6 gives conclusions. The Appendix provides detailed information required by the EBSTask Force for final reporting.

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