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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

High Fidelity Simulations of a Methane-Oxygen Rotating Detonation Rocket Engine

The rotating detonation combustor (RDC) is an important realization of pressure gain combustion for practical applications. The RDC system is characterized by a highly unsteady flow field, with multiple reflected pressure waves following the strong detonations and the existence of partially-burnt gases entrained within the detonation annulus during the injector recovery process. While experimental efforts have provided macroscopic properties of an RDC with a given fuel-oxidizer mixture and geometry, limited optical access and reduced lifespan of flow-field diagnostic equipment constrain understanding of the mechanisms that lend to wave stability, controllability, and sustainability. To this end, high-fidelity numerical simulations of the Air Force Research Laboratory (AFRL) methane-oxygen rotating detonation rocket engine (RDRE) are performed to provide detailed insight into the detonation physics and anomalous behavior within the combustor. The results highlight the merit of high-fidelity numerical studies in analyzing the combustion processes and injector dynamics of a complex combustion system. The simulations capture the general wave behavior observed within the experimental studies. Three different operating conditions, with varying global equivalence ratio and system mass flow rate, are considered: (1) baseline configuration, (2) high equivalence ratio, and (3) high mass flow rate. The high mass flow rate case results in increased detonation wave strength whereas the high equivalence ratio results in increased deflagrative heat release. The high equivalence ratio case results in chaotic behavior with two pairs of counter-rotating detonation waves, whereas a single pair of co-rotating waves is observed in the baseline and high mass flow rate cases. Further, parasitic combustion of the reactant mixture ahead of the detonation wave diminishes its strength and reduces propagation speed to approximately 50-60\% of the Chapman-Jouguet (CJ) condition. In this work, a detailed analysis of the detonation wave behavior, injector dynamics, and the statistics of combustion parameters are presented.

Prakash, Supraj↗
DOE OSTI2023

Structures of strong shocks in low-density helium and neon gases

Strong shocks are essential components in many high-energy-density environments such as inertial confinement fusion implosions. However, the experimental measurements of the spatial structures of such shocks are sparse. In this paper, the soft x-ray emission of a shock front in a helium gas mixture (90% helium, 10% neon) and a pure neon gas was spatially resolved using an imaging spectrometer. We observe that the shock width in the helium mixture gas is about twice as large as in the pure neon gas. Moreover, they exhibit different precursor layers, where electron temperature greatly exceeds ion temperature, extending for more than ~350 µm with the helium gas mixture but less than 30 µm in the pure neon. At the shock front, calculations show that the electrons are strongly collisional with mean-free path two orders of magnitude shorter than the characteristic length of the shock. However, the helium ions can reach a kinetic regime as a consequence of their mean-free path being comparable to the scale of the shock. A radiation-hydrodynamic simulation demonstrates the impact of thermal conduction on the formation of the precursors with charge state, Z, playing a major role in heat flow and the precursor formation in both the helium mixture and the pure neon gases. Particle-in-cell simulations are also performed to study the ion kinetic effects on the formation of the observed precursors. A group of fast-streaming ions is observed leading the shock only in the helium gas mixture. Additionally, both effects explain the longer precursor layer in the helium shock.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Using groundwater noble gas measurements to confirm paleorecharge hypotheses at Pahute Mesa, Nevada National Security Site, Nevada, USA

Pahute Mesa (Nevada, USA) was the site of 85 underground nuclear tests between 1965 and 1992 whose residual radio-chemical inventory poses a contaminant threat to local groundwater resources. To assess the fate and transport of these radionuclides in groundwater, several geochemical studies, including this one, have been conducted to understand long-term groundwater flow patterns at, and downgradient of, Pahute Mesa. Groundwater samples from the Pahute Mesa area at the Nevada National Security Site were analyzed for noble gases ( 3 He/ 4 He isotopic ratio and He, Ne, Kr, Ar and Xe concentrations) to infer groundwater recharge temperatures and provide additional evidence in support of groundwater flow patterns and the presence of late-pluvial Pleistocene groundwater. These data confirm recent findings (based on groundwater geochemistry and isotope compositions) that most recharge in the area occurred under temperature conditions much cooler than are found today, except near major drainages where ephemeral run of continues to recharge shallow groundwater. These noble gas data indicate that noble gas recharge temperatures and terrigenic He components have been reset where groundwater has flowed upward over barriers formed by caldera margins, or near the regional discharge area (Oasis Valley) where shallow groundwater has interacted with shallow soil gas. This evidence from groundwater noble gas measurements, in combination with other isotopic and geochemical studies, supports the current understanding of the unusual hydrogeology and recharge history of Pahute Mesa.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Experimental measurement of the rapid mixing of fuel and air in a multi-element diffusion (Hencken) burner

Flat flame burners are valuable tools for studying complex combustion phenomena like particle synthesis due to the well-controlled and well-behaved initial and boundary conditions. In this study, the methane/air flame temperature and tracer density profiles of a multi-element diffusion burner equipped with a central tube were characterized using krypton (Kr) x-ray fluorescence at the Advanced Photon Source at Argonne National Laboratory. The experiments were performed using a fuel-to-oxygen equivalence ratio of 0.8 and 3.3% Kr by volume was added to the reactant gases. One- and two-dimensional scans of non-combusting (i.e., cold flow) and combusting conditions, both with and without flow through the central tube were performed. Spatially-resolved Kr number density profiles were obtained at different planar locations and heights above the surface of the burner. The results show rapid mixing occurred near the exit-plane of the burner and increased spatial uniformity was achieved from 0.1 mm to 0.5 mm above the surface of the burner. Further, the data also showed the impact of the central tube flow on the main methane/air flame, including evidence of the central tube flow mixing with the main flow. Flame temperatures were calculated from the fluorescence measurements at various heights above the burner surface and were in good agreement with model predictions for a burner stabilized flame. These high-fidelity measurements provide accurate baseline data that are particularly valuable for understanding the effects of fuel and air mixing on downstream phenomena, such as the formation of condensed-phase products.

42 ENGINEERING↗
DOE OSTI2023

Enzyme-assisted liquefaction for different fractions of corn stover pellets

With an increase in population, the world will depend on renewable sources to meet the increasing energy needs. The use of lignocellulosic biomass as a renewable source has been proven efficient for conversion to cellulosic ethanol and capable of contributing to thresholds for energy demand while reducing greenhouse gases by 90% when compared with fossil fuels. However, limitations in feeding and flow within biorefineries are encountered when system plugging occurs due to biomass compaction and a high yield stress for slurries formed during its processing. Furthermore, differences in the biomass source present a challenge to the continuity of operations and reliability in the process. This work explores enzyme-assisted liquefaction for solid loadings up to 30% as an alternative for the creation of slurry from two different types of biomass (pelleted corn stover and cobs) that were liquefied in a fed-batch process using commercial enzymes Celluclast 1.5L or Ctec-2 at 1FPU/g or 3 FPU/g of dry solids in a 10 mM sodium citrate buffer solution (pH 4.8). Pellets were fed into a 1 L stirred bioreactor according to a predefined fed-batch protocol during the first 5 hours until 30% solid loading was reached. After 6, 24 and 96 hours, samples were taken and characterized with respect to their composition, rheology, and water absorption. Successful slurry creation with dramatically reduced yield stress was achieved for corn stover for both enzymes assessed. Yield stresses of 178±7 Pa (3 FPU, Celluclast 1.5L) and 79±6 Pa (3 FPU, Ctec-2) were measured for corn stover at 24 hours, compared to 6,000 Pa for samples without enzyme. Yield stress was 155± 29 Pa (3FPU, Ctec-2) and 257 ± 72 Pa (1 FPU, Celluclast 1.5L) for corn cobs at 24 hours. A profile for 6, 24 and 96h of yield stress measurements and sugar conversion is presented.

Gutierrez, Diana↗
DOE OSTI2023

TOUGH3/EOS7MG (EOS7MG) v1.1

EOS7MG is a new TOUGH3 module for modeling water, brine, and multiple gas mixtures in the subsurface multiphase flow system. The module allows mixture of as more as three gas components selecting from a list of predefined gases (CH4, C2H6, C3H8, H2S, CO2, N2, NO2, H2, and AIR). EOS7MG was developed based on EOS7C and inherited the general modeling capabilities of the TOUGH3 platform. It uses cubic equation of states for gas density, viscosity, and enthalpy calculation. The module provides the selection options for Peng-Robinson, Redlich-Kwong, or Soave-Redlich-Kwong equations of state. The subsurface flow and transport of gas and aqueous phase mixtures over a wide range of pressures and temperatures is modeled with a multiphase Darcy's Law and an accurate chemical equilibrium approach as originally implemented in EOS7C is used for calculation of the solubilities of different mass components. EOS7MG was designed to allow flexible number of components based on the number of gases included in the model. The potential application of this module may include subsurface gas storage, energy storage, CCS, enhanced gas recovery, and more.

Zhang, Keni↗
DOE OSTI2025

Dynamic separation of gases using microsieves

Separation of light weight molecules, such as nitrogen, argon, and oxygen, from heavier compounds can have significant impacts on energy capture, environmental monitoring, or isotopic applications. Large-scale gas separation techniques, like gas centrifugation and membrane mitigation, can be problematic as they impart tremendous energy and induce high mechanical stress onto the instrumentation. Microsieves, also known as micronozzles or microfunnels, are developed to create physical barriers to separate specific isotopes and gases. Separation is achieved using a converging and diverging micronozzle to impose supersonic gas flow around a curved wall, and it has been used for the separation of heavy actinide isotopes in low weight gas as well as separation of low weight gas compositions of nitrogen and argon back in 1900s. However, systematic reviews of this unique technology are lacking. The application of the Laval style nozzle, which has a converging/diverging entrance fundamental to the micronozzle, is included in this review due to its importance in industrial applications in uranium (U) isotope refinement. Using advanced computational fluid dynamic (CFD) simulations, the extent of gas separation can be modelled. Herein, we first examine the literature and survey recent advances on fabrication techniques for creating curved micronozzles, methods and separation principles used to design devices. Furthermore, we then follow with highlights of CFD simulations applied to evaluate the separation effects using microsieves. Finally, identification of the gap and recommendation for future development and applications are suggested for using intrinsic molecular features and fluidic dynamics in formulating separation strategies.

30 Microfluidics↗
DOE OSTI2021

High pressure, high flow rate batch mixing apparatus for high throughput experiments

An automated, high pressure, high flow rate batch mixing apparatus has been designed and constructed for rapid, stable, and repeatable mixing of multiple gases and vapors. The apparatus operates as an intermittent batch mixer with cycles of topping off fresh mixture to maintain pressure in an accumulator tank until consumed in an experimental apparatus. At high duty cycles, the apparatus can also function at steady state. This style of mixing is suitable for experiments such as high repetition rate shock tubes and other devices with intermittent flow demands. It is compact and portable, facilitating use in locations such as synchrotron light sources. The entire apparatus is heated to permit the mixing of vapors from species with low volatilities. The apparatus is fully automated and runs for extended periods with the only intervention being to refresh reagent supplies. Here, the accuracy and repeatability of the apparatus were verified by periodic gas sampling and analysis with gas chromatography. Multi-component mixtures spanning a wide range of complexity, dilution, and volatility of constituents have been prepared. The compositions of the majority of the mixture were found to be stable over several filling cycles, repeatable, and with the proper calibration of set-point conditions, accurate. Challenges were encountered preparing a mixture from multi-component liquids, and potential solutions are discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Direct Measurement of Small Particle Growth and Aging at the Atmospheric Radiation Measurement Southern Great Plains Observatory Field Campaign Report

Two identical Captive Aerosol Growth and Evolution (CAGE) chambers were operated at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) observatory in the late summer and fall of 2021. The field study was scheduled to begin in spring, 2020, but was delayed because of the pandemic. CAGE chambers are designed to expose particles to an environment that mirrors that of the surroundings with or without a controlled perturbation designed to assess a sensitivity. The analysis here focuses on roughly the last two months of the overall study period during which measurements were almost continuous and when several perturbation experiments were conducted. Though the utility of a dual-chamber system is the ability to measure the influence of a single change on top of ambient conditions, both chambers were initially operated in the same way, with ambient air pulled through the gas exchange channel in both and ammonium sulfate particles injected into both. The similar time-dependent particle growth observed in the chambers for those periods provides confidence in differences observed during the subsequent perturbation experiments. The growth rate of particles in the reference chamber into which only ammonium sulfate particles were injected and for which only ambient air was pulled through were used to describe time-of-day averages. The average growth rate was highest in the evening and in the morning after sunrise and lowest in the late afternoon. The sensitivity of particle growth to secondary aerosol precursor gases was studied by adding them at a controlled rate to the ambient air flow pulled through one of the two chambers. Addition of 5 ppb of α-pinene resulted in an average particle growth rate of 4.4 nm hr -1 , compared with that of just 0.8 nm hr -1 in the reference chamber. The added α-pinene also triggered one new particle formation (NPF) event in the early evening just before sunset and another in the morning just after sunrise. Similarly, addition of 5 ppb of SO 2 to one chamber led to a pair of NPF events and to increased particle growth rate, though unlike the impact of added α-pinene, growth was enhanced only during the daytime when OH concentration is highest. The influence of aerosol liquid water on secondary aerosol formation and particle growth was investigated by injecting ammonium sulfate seed particles into one chamber and potassium sulfate particles into the other. Particles were injected into the two chambers four times over a 1.5-day period. The chamber relative humidity (RH) history during and following each injection was used to determine whether each particle type was crystalline or aqueous. For the case when both particle types remained crystalline throughout the period, they were tracked and for the case when they remained aqueous, the magnitude and time-dependence of the growth of both were almost exactly the same. For the other two cases the ammonium sulfate particles deliquesced upon injection and remained aqueous, while the potassium sulfate particles remained crystalline. For those two cases, the aqueous particles grew substantially faster than did the crystalline particles, providing evidence of the role of aerosol liquid water on secondary aerosol formation and particle growth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Optical and mass-spectral characterization of mixed-gas flowing atmospheric-pressure afterglow sources

Plasma-based ambient desorption/ionization (ADI) sources for mass spectrometry (MS) often use helium as the primary discharge gas due to the large reaction cross section of excited helium species with atmospheric gases, which ultimately leads to efficient reagent-ion formation. However, some studies have shown that mixed-gas plasmas provide unique advantages. For instance, our group showed that a helium-oxygen flowing atmospheric-pressure afterglow (He:O 2 -FAPA) source yielded enhanced ion signals for small polar analytes, but compounds with aromatic rings underwent chemical modification to produce pyrylium species. Here, it is shown that the addition of H 2 to the helium FAPA gas significantly decreased the reagent-ion signals, but analyte-ion signal was not affected to the same degree. In addition, mass spectra obtained with He:H 2 -FAPA were chemically cleaner with fewer ions stemming from analyte species and produced less oxidation of analytes. Addition of nitrogen increased the abundance of negative reagent ions (e.g., NO 2 - and NO 3 - ) which led to enhanced ion signal for RDX. To better understand these unique advantages of a mixed-gas FAPA, the impact of molecular-gas (O 2 , N 2 , or H 2 ) addition on the optical-emission spectra from the discharge was also measured. Spatially resolved emission was obtained from the anode- and negative-glow regions. In general, addition of small fractions (~0.1%) of molecular gases decreased helium and OH emission intensities. Atomic oxygen and hydrogen emission increased with the addition of O 2 and H 2 , respectively. Furthermore, emission characteristics of N 2 , N 2 + , and NO with respect to molecular gas composition on He-FAPA were measured. Finally, fundamental plasma parameters, such as OH rotational temperature (T rot ), were also calculated for these mixed-gas systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Hydrogen permeability and stability of palladium films in a high pressure reactor

Palladium (Pd) thin films were fabricated by colloidal spray deposition (CSD) on substrates of porous yttrium stabilized zirconium oxide (YSZ). The films were sintered at 1140–1160 °C for 2–3 h in argon and had thickness of 5–11 μm. The hydrogen (H 2 ) permeation flux for the Pd film was measured with simulated feed gases (90% H 2 /He, syn-gas/steam, or syn-gas/steam with H 2 S) flowing on the film side and sweep gas (Ar) flowing on the substrate side. Here, the hydrogen flux with the Pd film was obtained by adjusting the flow rate and pressure of the gas. Hydrogen flux values of 121–173 cm 3 min -1 cm -2 were measured at 388–596 °C (feed: 90% H 2 /He at 200 mL min -1 ; sweep: Ar at 1400 mL min -1 ; and ΔP = ~170 psi), and the permeability was calculated and compared with literature values. Because Pd is known to be sensitive to some gases, the stability of Pd films was evaluated by examining the microstructures of samples after their exposure to gas mixtures containing CO, CO 2 , H 2 O, and H 2 S. From the results of stability tests in H 2 S-containing atmospheres, the Pd/Pd 4 S phase boundary was determined, and this measured boundary was compared to the Pd/Pd 4 S boundary calculated from the thermodynamic data in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The importance of ion kinetic energy for interference removal in ICP-MS/MS

Here, the effect of ion kinetic energy on gas phase ion reactivity with ICP-MS/MS was investigated in order to explore tuning strategies for interference removal. The collision/reaction gases CO 2 , N 2 O and O 2 were used to observe the ion product distribution for 48 elements using an Agilent tandem ICP-MS (ICP-MS/MS) as a function of reaction gas flow rate (pressure) and ion kinetic energy. The kinetic energy of the incident ion was varied by adjusting the octopole bias (V oct ). The three gases all form oxides (MO + ) as the primary product with differing reaction enthalpies that result in distinct differences in the ion energies required for reaction with product ion distributions that vary with Voct. Consequently, by varying the ion kinetic energy (i.e., V oct ), differences in interference reactivity can be used to achieve maximum separation. Three practical application examples were reported to demonstrate how the ion kinetic energy can be varied to achieve the ideal ion product distribution for interference resolution: CO 2 for the removal of 238 U in Pu analyses, CO 2 for the removal of 40 Ar 16 O vs. 56 Fe, and O 2 for the removal of Sm in Eu analyses, analogous to Pu/Am. The results demonstrate how the starting ion energy defined by V oct is an important factor to fully leverage the utility of any given reaction gas to remove interferences in the mass spectrum using ICP-MS/MS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Autonomous Infrared and Small (Wide) Angle X-Ray Scattering (IR-S(W)AXS) Capability

Thin water films are 2-D, nanoconfined layers that form on solid surfaces exposed to humid atmospheres—environments ubiquitous across catalysis, corrosion science, soil science, and subsurface geochemistry. At relative humidity (RH) values below saturation, these films are Å–nm thick and exhibit properties that differ sharply from bulk water, including disrupted H-bonding and impeded mass transport. Owing to their high surface-to-volume ratio, dissolution of the solid can rapidly drive strong supersaturation with respect to secondary phases. Reactivity in thin water films is highly sensitive to film thickness, and critically, thickness evolves during reaction because the hygroscopicity of the interfacial system changes as ions accumulate or diminish in the film and as reaction products transform. To accurately probe and control these dynamics, a capability is needed that can measure and automatically maintain a constant water-film thickness while simultaneously monitoring solid dissolution, nucleation, and growth. This project developed an autonomous Infrared/Small Angle X-ray Scattering-Wide Angle X-ray Scattering (IR/(W)SAXS) for investigating reactivity in thin water films on solid surfaces exposed to humidified gases. The capability consists of an IR spectrometer, a (W)SAXS instrument, and a mass flow controller system for generating variably humidified gas flows to a custom reaction cell. Progress on each of the major components of the capability are detailed below.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Implementation of a High-Fidelity Interface Resolving Method in Nek5000

The development and utilization of computational fluid dynamics (CFD) models for large, high-temperature electric melters in the Waste Treatment and Immobilization Plant (WTP) in eastern Washington State have proven to be valuable for various purposes. These models allow for a better understanding of the physio-chemical processes occurring within the melter vessels and can contribute to improving operational efficiency, throughput, and addressing operational issues related to vitrification. The CFD models employed for these melter vessels incorporate multiphase fluid flow and heat transfer simulations in different regions, including the plenum, cold cap, and molten glass regions. As the tank waste and glass formers are introduced into the melter, a reacting batch layer known as the cold cap forms on top of the molten glass. To enhance the melt rate, forced convection bubblers located at the bottom of the melters generate convection currents that help homogenize the molten glass and provide heat to the cold cap. As the bubbles rise through the highly viscous glass, they adopt a spherical-cap shape [1]. Meanwhile, the conversion of the batch to glass generates significant amounts of gases (such as water vapor, carbon dioxide, sulfur dioxide, and NOx) due to thermal decomposition [2]. These gases become trapped between the cold cap and molten glass, forming a foam layer [3]. For modeling multiphase flow in CFD and heat transfer simulations of waste glass melters at different scales, efforts are underway to augment the capabilities of the Nek5000 [4] and NekRS [5] open-source codes [6]. Nek5000/NekRS is a scalable and efficient spectral element code that has been successfully applied to a wide range of fluid dynamics problems. By leveraging the Nek5000/NekRS software, it becomes possible to model the melter systems more affordably and with lower computational requirements compared to currently utilized commercial CFD software. The specific objectives of this ongoing effort include: 1. Implementation of a level set method in Nek5000/NekRS: The level set method is a numerical technique commonly employed in CFD simulations to track and represent the interface between different phases or materials accurately. By incorporating this method into Nek5000/NekRS, the ability to simulate multiphase flows in waste glass melters at a high level of fidelity can be achieved. 2. Demonstration of capability for air bubbling through molten glass: As part of the development process, a specific case of air bubbling through molten glass will be simulated using the augmented Nek5000/NekRS code. This demonstration aims to showcase the ability of the software to accurately capture and analyze the complex phenomena involved in the multiphase flow within waste glass melters. By achieving these objectives, the improved Nek5000/NekRS code will offer a powerful computational tool for simulating and analyzing waste glass melter systems, enabling better understanding, optimization, and troubleshooting of these vitrification processes. The ability to accurately model and simulate multiphase flows has broad relevance across many industries and scientific domains, and the improved functionality can contribute to advancements in various fields beyond waste glass melter simulations.

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

Effect of Evaporation on Vapor Space Flammability in DWPF Process Vessels - 20278

The Savannah River Site (SRS) Defense Waste Processing Facility (DWPF) processes liquid high-level waste (HLW) and encapsulates it in glass within stainless-steel containers suitable for safe, long-term storage and disposal. Radiolytic and chemical decomposition of the liquid waste generates hydrogen and other flammable gases creating a hazard. The rate of flammable gas generation increases by an order of magnitude as temperature increases from sub-boiling to boiling. DWPF controls this hazard in process tanks by ensuring a minimum purge flow through each tank's head space. The minimum purge flow rate is established assuming dry air and neglecting evaporation. However, this study determined that steam from boiling in a representative process tank is sufficient to dilute flammable gases and, thereby, preclude flammability. For sub-boiling, water vapor is an insufficient diluent considering hydrogen's lower flammable limit (LFL) in air. However, the upper and lower flammable limits approach each other in a hydrogen-air-water-vapor environment as the water vapor concentration increases. This effect may preclude flammable conditions if water vapor concentration is about 60 volume percent or higher. A saturated, constant-pressure air-water system would achieve 60 volume percent water vapor at 86 deg. C. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Model-based analysis of solute transport and potential carbon mineralization in the active layer of a hillslope underlain by permafrost with seasonal variability and climate change

Permafrost carbon, stored in frozen organic matter across vast Arctic and sub-Arctic regions, represents a substantial and increasingly vulnerable carbon reservoir. As global temperatures rise, the accelerated thawing of permafrost releases greenhouse gases, exacerbating climate change. However, freshly thawed permafrost carbon may also experience lateral transport by groundwater flow to surface water recipients such as rivers and lakes, increasing the terrestrial-to-aquatic transfer of permafrost carbon. Mobilization and subsurface transport mechanisms are poorly understood and not accounted for in global climate models, leading to high uncertainties in the predictions of the permafrost carbon feedback. Here, we focus on a hillslope in Endalen Valley, Svalbard, as a representative example of a high-Arctic hillslope underlain by continuous permafrost. We analyze solute transport in the form of a non-reactive tracer representing dissolved organic carbon (DOC) using a physics-based numerical model with the objective to study governing cryotic and hydrodynamic transport mechanisms relevant for warming permafrost regions. We first analyze transport times for DOC pools at different locations within the active layer under present-day climatic conditions and proceed to study susceptibility for deeper ancient carbon release in the upper permafrost due to thaw under different warming scenarios. Results suggest that DOC in the active layer near the permafrost table experiences rapid lateral transport upon thaw due to saturated conditions and lateral flow, while DOC close to the ground surface experiences slower transport due to flow in unsaturated soil. Deeper permafrost carbon release exhibits vastly different transport behaviors depending on warming and thaw rate. Gradual warming leads to small fractions of DOC being mobilized every year, while the majority moves vertically through percolation and cryosuction. Abrupt thaw resulting from a single very warm year leads to faster lateral transport times, similar to active layer DOC released in saturated conditions. Lastly, we analyze the potential susceptibility of DOC to mineralization to CO 2 prior to export due to soil moisture and temperature conditions. We find that high liquid saturation during transport coincides with very low mineralization rates and potentially inhibits mineralization into CO 2 before export. Overall, the results highlight the importance of subsurface hydrologic and thermal conditions for the retention and lateral export of permafrost carbon by subsurface flow.

Hamm, Alexandra [Stockholm Univ. (Sweden)] (ORCID:↗
DOE OSTI2024

Modeling hydrodynamic and biomass pyrolysis effects of recycled product gases in a bubbling fluidized bed reactor

Fast pyrolysis of biomass in a fluidized bed reactor is typically conducted in a nitrogen gas environment. Recycling product gas can improve the economics of operating such a system by reducing reliance on pure process streams, but much less is known about how recycling pyrolysis product gas may affect fluidization behavior and pyrolysis kinetics. Therefore, gas effects in a fluidized bed biomass pyrolysis reactor were investigated using engineering correlations, low-order models, and CFD simulations for N 2 , H 2 , CO, CO 2 , and CH 4 carrier gas mixtures. Here, our findings reveal viscosity of a gas mixture can be significantly underestimated depending on the model and correlation. Furthermore, fluidization characteristics such as U mf and gas-solid convective heat transfer can be greatly affected by the gas properties. By utilizing H 2 as the fluidizing gas (instead of N 2 ), while maintaining a constant fluidization ratio (U s /U mf ), the bio-oil yields can be increased ~5%. This is due to the lower density H 2 producing similar hydrodynamics as N 2 at higher gas flow rates. These higher flow rates result in shorter gas residence times, and as a result, less secondary reactions that convert bio-oil to light gases and char. Model results also suggest that bio-oil yield is not significantly affected by the type of carrier gas used, with bio-oil yield varying by ~2% across different gas mixtures while maintaining constant flow rate. In conclusion, this indicates that recycled pyrolytic gas can be used as the carrier gas for biomass pyrolysis.

09 BIOMASS FUELS↗