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At least 397 records · Page 22

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Development and evaluation of a skeletal mechanism for EHN additized gasoline mixtures in large Eddy simulations of HCCI combustion

Advanced Low Temperature Combustion modes, such as the Sandia proposed Additive-Mixing Fuel Injection (AMFI), can unlock significant potential to boost fuel conversion efficiency and ultimately improve the energy conversion of internal combustion engines. This is a novel improved combustion process that is enabled by supplying small (<5%) variable amounts of autoignition improver to the fuel to enhance the engine operation and control. Common, diesel-fuel ignition-quality enhancing additive, 2-ethylexyl nitrate (EHN), is doped into gasoline to enable Sandia LTGC + AMFI combustion. This manuscript focuses on the development of a reduced sub-mechanism for EHN chemical kinetics at engine relevant conditions that is implemented into a skeletal mechanism for chemical kinetic studies of gasoline surrogate fuels. The mechanism validation utilized zero-dimensional numerical simulations and comparison to shock tube ignition-delay data of pure and EHN-doped n-heptane. Additional validation is presented with Homogeneous Charge Compression-Ignition (HCCI) engine data of pure and EHN-doped research-grade E10 gasoline. Then, the mechanism was deployed in a 3-D computational fluid dynamics (CFD) using Large Eddy Simulations (LES) to model the HCCI engine experiments of 0.4% vol EHN additized E10 gasoline at several equivalence ratios. Simulations showed a very good performance of the mechanism, and the model accurately reproduced (a) the ignition point, (b) combustion phasing, (c) combustion duration, and (d) the peak of the heat release rates of the engine experiments. The results show that EHN promotes Low-Temperature Heat Release, ultimately driving the gasoline to autoignite at thermodynamic conditions where the fuel would not otherwise ignite. Overall, this work demonstrates a viable reduced chemical-kinetic mechanism for EHN and shows that it can be combined with a skeletal gasoline mechanism for CFD-LES analysis of well-mixed LTGC that matches well with experimental results. The CFD-LES analysis also shows the spatial distribution of EHN-fuel interactions that control the autoignition throughout the combustion chamber.

Guleria, Gaurav↗

DOE OSTI2022

Numerical Investigation of the Spark Discharge Process in a Crossflow

The present study numerically investigates the spark discharge process under crossflow conditions using a thermal equilibrium plasma solver that fully couples the electromagnetic physics and fluid dynamics in a computational framework. Numerical results are validated by the comparison with experimental data. Here, the spark discharge experiment is performed in a constant volume vessel using an inductive coil ignition system for automotive applications, and the evolution of the spark channel is measured using high-speed imaging. The crossflow in the gap between the spark-plug electrodes is generated by a rotating fan with two different fan speeds, and the flow velocity across the gap is characterized by particle image velocimetry (PIV) measurement. A computational fluid dynamics (CFD) solver is employed to simulate the crossflow and provide the flow field variables (velocity, pressure, temperature) to the plasma solver. The crossflow velocity predicted in the flow simulation agrees well with the PIV data in that the non-uniform velocity profiles at monitoring points are reproduced by the CFD code. With the crossflow initialization in the plasma solver, the simulated spark discharge process from the breakdown to spark discharge matches the experimental data, including the voltage and circuit waveforms and the high-speed images of the spark channel evolution. The stretch of spark channel captured by plasma simulations agrees with the measured data. The plasma simulation reveals that the mean temperature of the spark channel is maintained at 5000 K during the discharge phase, and the temperature varies along the spark channel so that the highest value is obtained at the spark root on the center electrode. Overall, the results presented in this paper are meant to provide valuable information about the properties of the plasma generated by the spark discharge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Enhanced Models for the Simulation of Two-Phase Boiling Flow and Critical Heat Flux with the STAR-CCM+ and NEK-2P CFD Codes: Executive Summary (Final Report)

The goal of the project was to develop, verify and validate an advanced two-phase boiling flow modeling capability that enhances the existing two-phase flow modeling of the STAR-CCM+ Computational Fluid Dynamics (CFD) code. The project focused on the simulation of two phase flow and heat transfer phenomena that occur in Boiling Water Reactor (BWR) and Pressurized Water Reactor (PWR) fuel bundles under various operating conditions. The extended STAR-CCM+ two-phase flow models implemented during the project follow the approach similar to the Extended Boiling Framework [1-6] previously developed at Argonne but include more fundamental physical models of boiling phenomena. The development and validation of the extended two-phase models is supported by the U.S. DOE GAIN program and performed in collaboration with Framatome U.S. Inc.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

SHOCK TUBE IGNITION STUDIES OF RENEWABLE DIESEL FUELS FOR MEDIUM AND HEAVY-DUTY TRANSPORTATION

Currently extensive research on alternative fuels is being conducted due to their increasing demand to reduce greenhouse emissions. One renewable fuel studied in this work is dimethyl ether (DME) blended with propane(C3H8) as a potential mixture for heavy-duty engines used in semi-trucks. The blend has the potential to drastically reduce particulate and greenhouse gas emissions compared to a conventional diesel engine operating under similar conditions. To develop the use of mixture, one must conduct detailed conceptual and simulation studies before progressing to detail studies in CFD, engine modifications, and live testing. For simulations, accurate high-fidelity chemical kinetic models are necessary. However, the validity of the chemical kinetic mechanism for operating conditions of a heavy-duty mixing-controlled compression (MCCI) engine was widely unknown until recent work presented here and published. In this work, we studied the ignition of DME and propane blends in a shock tube under MCCI engine conditions. Ignition delay time (IDT) gathered behind the reflected shock for DME-propane mixtures for heavy-duty compression ignition (CI) engine parameters. Testing was conducted for undiluted varieties spanning from temperatures of 700 to 1100 K at pressures ranging from 55 to 84 bar for various blends (100% CH3OCH3, 100% C3H8, 60% CH3OCH3/ 40% C3H8) of DME and propane were combusted in synthetic air (21% O2/ 79% N2). Several experiments were conducted at higher pressures (90-120 bar) to improve the model performance and accuracy. The ignition delay times (IDTs) were compared to recent mechanisms, including Aramco3.0, NUIG, and Dames et al. A common trend among the mechanisms was overpredicted experimental IDTs. Further studies were conducted by a sensitivity analysis using the Dames et al. model, and critical reactions sensitive to IDTs of DME-propane mixture near 60 bar are outlined. Chemical analysis was conducted on the NTC region to explain chemical kinetics which is critical for developing MCCI heavy duty engines.

Mohammed, Zuhayr Pasha↗

DOE OSTI2024

Machine Learning Based Prediction of Airflow Maldistribution in A-Type Heat Exchangers

Airflow maldistribution is one of the primary causes of performance degradation in air-to refrigerant heat exchangers (HX) and has been shown to decrease heat transfer by as much as 35%. As a result, many units are oversized to meet the target capacity, resulting in increased system cost and refrigerant charge. Several studies have explored how characteristics like package type and HX geometry impact the flow profile, but results are restricted to a limited range of parameters and cannot be extrapolated to new designs. In this work, a machine learning (ML) model is trained to predict the inlet flow profile of dry air entering A-type HXs across a broad range of geometries and conditions. Flow profiles are generated using a porous media CFD model and used to train an Artificial Neural Network (ANN) which exhibits maximum and average relative L2 norm errors of 0.48 and 0.05. Additionally, these predictions take less than a second to generate resulting in a speed up factor of 2.42E5 compared to CFD. Component-level simulations are conducted to determine the performance degradation resulting from the predicted airflow maldistribution profiles. The new ML model will enable rapid and accurate prediction of performance degradation resulting from airflow maldistribution in A-type HXs, allowing for more accurate and cost-effective HX design.

42 ENGINEERING↗

DOE OSTI2022

Spark-Assisted HCCI Residential CHP

A transformative small spark ignition (SI) internal combustion (IC) engine fueled with natural gas was developed for combined heat and power (CHP) applications using a combination of cycle simulations, computational fluid dynamics (CFD) modeling, and engine experiments. The resulting 1 kW CHP engine was demonstrated to achieve 36.1% brake thermal efficiency (BTE) while meeting aggressive exhaust emissions targets using a low-cost three-way catalyst. Starting from a “clean-sheet” design, modeling tools were used to select the optimal engine parameters and operating characteristics. The disruptive technologies developed for the CHP system have a target lifetime of at least 10 years. The engine cost at volume of 10,000 units was estimated to be $\$$1,050. A combination of experimental and simulation results were used to identify a path to the program target of 38.6% BTE. Base engine design parameters (i.e., displacement, speed, bore, stroke, valve timings, and compression ratio) were optimized to reduce friction, heat transfer, and exhaust losses. The base clean sheet prototype engine achieved 32% BTE. Optimization of the lube oil and coolant temperatures added 1.8% BTE. The addition of exhaust gas recirculation added 1.1% BTE. Novel thermal barrier coatings (TBCs) developed over the course of the project added 1.2% BTE. Further improvements in engine friction reduction (1.3% BTE) and improved combustion (1.2% BTE) are estimated to meet the program target 38.6% BTE, while also meeting the stringent criteria pollutant emissions targets.

42 ENGINEERING↗

DOE OSTI2024

Modeling Flow and Particle Deposition in a Spent Nuclear Fuel Assembly

CFD (Computational Fluid Dynamic) simulation of aerosol-laden natural convective flow and particle deposition in a spent fuel storage canister with 37 assemblies is currently computationally prohibitive. PWR (Pressurized Water Reactor) assemblies have up to 289 pins or tubes with several spacer grids to align the pins. Spacer grids with mixing vanes induce swirling during operation to increase heat transfer. Each spacer grid contains hundreds of small structures such as retaining clips, channel walls, and openings. The largest canisters store 37 PWR assemblies thus, there are numerous pins, tubes, and spacer grids for which the flow region between and around these structures needs to be determined along with the movement and deposition of aerosol particles. Because of the complicated geometry, modeling the intricate flow even for just one assembly is currently impractical. Nonetheless, we are developing techniques for a practical model to assess the natural aerosol particle deposition process in a canister in the event that a release occurs from one or more fuel pins. In the previous work it was demonstrated that CFD can model the flow through a PWR spacer grid with mixing vanes, including particle deposition, in a reasonable amount of time on a personal computer. In this work, the analysis is extended to include the bypass region between an assembly and the canister basket walls. It is shown that the flow velocity in the bypass region is about three times that of the interstitial region between the pins. The lengths before and after the spacer grid are also extended to determine when the flow becomes fully developed. In addition, the approach of computationally “stitching together” segments of an assembly is demonstrated with the plan to ultimately model a full assembly. The fraction of particles that are deposited in a segment with a spacer grid is determined as a function of particle size and flow velocity.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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

Free-Surface Liquid Lithium Flow Modeling and Stability Analysis for Fusion Applications

Liquid metal plasma facing components are considered an attractive design choice for fusion devices including pilot plants. Virtual prototyping of such devices includes modeling of free-surface flow of the electrically conductive liquid, which requires computational fluid dynamics (CFD) and magnetohydrodynamics (MHD) simulations. Numerical tools capable of simulating flows and heat transfer in the free-surface MHD flow were developed at PPPL based on the customized ANSYS CFX. Here, MHD is introduced using a magnetic vector potential approach. Free-surface flow capabilities are available in the code and were tested. Special stabilization procedures were derived and applied to improve convergence of the momentum equations with the source terms due to the Lorentz force and surface tension. Important characteristics of the fusion-relevant liquid metal flow is free surface smoothness and stability. Heat flux from the plasma impacts the liquid surface at a very acute angle, so any change of the free surface from axisymmetry can dramatically increase the local heat flux density and thus create excessive evaporation of liquid lithium into the plasma, which is detrimental to operations. Stability analysis of the liquid metal film flow was performed to determine applicable flow regimes. Thin film flow along horizontal wall is considered. Effects of gravity, magnetic field, and surface tension are included in the analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Assessing the use of portable air cleaners for reducing exposure to airborne diseases in a conference room with thermal stratification

The COVID-19 pandemic has highlighted the need for strategies that mitigate the risk of aerosol disease transmission in indoor environments with different ventilation strategies. It is necessary for building operators to be able to estimate and compare the relative impacts of different mitigation strategies to determine suitable strategies for a particular situation. Using a validated CFD model, this study simulates the dispersion of exhaled contaminants in a thermally stratified conference room with overhead heating. The impacts of portable air-cleaners (PACs) on the room airflow and contaminant distribution were evaluated for different PAC locations and flow rates, as well as for different room setups (socially distanced or fully occupied). To obtain a holistic view of a strategy's impacts under different release scenarios, we simultaneously model the steady-state distribution of aerosolized virus contaminants from eight distinct sources in 18 cases for a total of 144 release scenarios. The simulations show that the location of the source, the PAC settings, and the room set-up can impact the average exposure and PAC effectiveness. For this studied case, the PACs reduced the room average exposure by 31%-66% relative to the baseline case. Some occupant locations were shown to have a higher-than-average exposure, particularly those seated near the airflow outlet, and occupants closest to sources tended to see the highest exposure from said source. We found that these PACs were effective at reducing the stratification caused by overhead heating, and also identified at least one sub-optimal location for placing a PAC in this space.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

A multi-dimensional dataset for two-phase instability in low pressure natural circulation based on direct transient local measurement

Thermal hydraulic instability can challenge the control and the safety of nuclear reactors. This experimental research captures and investigates the instability in a low-pressure (1–10 atmospheres) natural circulation loop with an adiabatic chimney installed above the heated section. Direct transient local measurement of two-phase flow is performed at multiple axial locations along the flow channel with thermocouples and conductivity probes traversed by customized high-precision mechanisms. Based on the periodicity of oscillations, a post-processing method is proposed to align the data captured non-simultaneously to reconstruct the instability behavior in one representative period. The averaging operation over multiple oscillation cycles is performed to reduce the random errors. Cyclic phenomena are clearly demonstrated by the post-processed data, and rapid void fraction change induced by the flashing is observed to be significant in the driving mechanism for low pressure oscillations. Parametric effects of inlet subcooling, heat flux, inlet flow restriction and system pressure are studied within the experiment range, and qualitative results are explained and compared with existing literature. The ratio between the oscillation period and the travelling time of the fluid particle through the test section is compared with the theoretical value for the density wave oscillation. The new dataset contains directly measured transient multi-dimensional two-phase data along the flow channel for natural circulation under density wave oscillations. The generated dataset is valuable for the validation of system analysis codes and CFD codes in the simulation of natural circulation phenomena and dynamic two-phase flow.

42 ENGINEERING↗

DOE OSTI2022

The Study on the Shock Wave Propagation Rule of a Gas Explosion in a Gas Compartment

Combined with the k-ε turbulence model of general application, a refined finite element model of a utility tunnel’s gas compartment filled with the methane/air mixture is developed. A series of analyses are made by using the powerful industry-leading computational fluid dynamics (CFD) software flame acceleration simulator (FLACS) to study the shock wave propagation rule in the gas compartment. The longitudinal and transversal distribution laws of the explosion shock wave are gained taking into consideration the spatial characteristics of the gas compartment. The influences of a few parameters, such as initial conditions and section size of the gas compartment, on the shock wave propagation rule are further discussed. The basic procedure for predicting the peak pressure of the blast wave is provided by considering the initial conditions and the gas compartment, and the corresponding injury effect of the explosion wave on the living beings is assessed. The investigation demonstrates that the peak pressure by the coupled effect between the initial conditions is significantly influenced, especially at the upper and lower gas explosion limits. The peak pressure increases gradually as the width or height increases, and both basically meet the linear relation. The proposed method can forecast the peak pressure of the explosion shock wave in the gas compartment accurately. According to the peak pressure longitudinal and transversal distributions of the blast wave, the peak pressure is far greater than the killing pressure threshold in the underground and closed space; consequently, it is not safe for the living beings in the gas compartment.

Lin, Shu-Chao↗

DOE OSTI2026

HIGRAD/FIRETEC

This is the public-facing repository for the LANL-developed and maintained HIGRAD/FIRETEC software, a CFD software designed to simulate the coupled fire-atmospheric processes at a landscape-scale of resolution. Distribution is possible under OSS license O5086.

Josephson, Alexander [Los Alamos National Laborato↗

DOE OSTI2020

Supercritical Reforming of Wet Ethanol for High Efficiency Direct-injection Heavy-duty Compression-ignition Engines

The purpose of the research was to investigate the potential of using a mature bio-fuel in heavy-duty compression ignition engines. By co-optimizing both the fuel characteristics and engine system the potential for a superior outcome was demonstrated. The use of wet bio-ethanol eliminates the majority of the energy intensive distilling and dehydrating fuel production processes, which moves the fuel towards carbon neutral and also lowers the fuel costs. The relatively high water content of the resulting fuel is leveraged in the proposed novel combustion system by incorporating an integrated high efficiency exhaust waste heat recovery system. This results in significantly higher thermal efficiency. In addition the combustion system features low criteria pollutant emissions and the potential to reduce the initial cost of the engine system hardware. Substantial societal benefits are demonstrated through the co-optimization of the fuel and engine system. A computational proof-of-concept study has been performed to demonstrate the potential benefits of a novel wet ethanol heavy-duty compression ignition combustion system featuring integrated exhaust waste heat recovery. A combined in-cylinder closed cycle 3D computational fluid dynamics (CFD) - 1D engine system simulation approach was used. The models were validated to baseline engine data using diesel fuel and then applied to the wet ethanol study. The original concept was to maximize exhaust waste heat recovery through supercritical reforming of the wet ethanol fuel. Phase I simulation results indicated that the optimal solution for maximum engine efficiency gains were realized through maximizing thermo-mechanical recuperation with negligible fuel reformation. The results show the potential to achieve impressive gains in brake thermal efficiency (BTE) over the base diesel engine. The potential to increase BTE up to 20.9% over the base diesel engine was demonstrated, with even larger gains possible through reduced in-cylinder heat transfer losses. The majority of the efficiency gains were realized through integrated high efficiency exhaust waste heat recovery. The concept also has the potential to achieve future ultra-low NO x emissions standards and negligible engine-out soot emissions. The mixing controlled combustion of high temperature wet ethanol features relatively low engine-out NO x emissions without the need for exhaust gas recirculation (EGR). The soot free combustion enabled by the relatively high oxygen content of ethanol also allows for the use of stoichiometric mixing controlled combustion, which is not practical with diesel fuel. When stoichiometric combustion is used a simple passive 3-way catalyst can be used for exhaust emissions after-treatment and near zero tailpipe emissions. The Phase I simulations results have defined the system layout and requirements in preparation for the Phase II experimental proof-of-concept study. The potential applications of the research include most current applications of diesel engines. The Phase I study focused on heavy-duty on-highway class 8 trucks. However, virtually any application that requires highly efficient clean power generation would benefit from the novel engine system proposed. The results indicate substantial fuel cost savings and reduced greenhouse gas emissions with similar or reduced initial system hardware costs compared to modern diesel engine systems.

09 BIOMASS FUELS↗

DOE OSTI2022

Extended Modeling of DOE Sealed Canisters with Updated Chemistry Models

Road-ready and final disposition packaging configurations for the advanced test reactor (ATR) fuel currently specifies storage within helium backfilled DOE sealed standard canisters. The aluminum cladding of the ATR fuel contains an oxyhydroxide layer of boehmite/bayerite that generates hydrogen when subjected to irradiation. Understanding the effect of this hydrogen buildup over time to important for long term storage considerations. Previous modeling efforts have built a coupled CFD-chemical model to simulate the temperature gas phase concentrations within the DOE sealed standard canisters. These models have coupled the temperature conditions to both the gas phase radiolysis chemistry and the surface chemistry associated with the oxyhydroxide layer. The previous iteration of the model utilized constant G-values for the hydrogen generation a 50-year period. This new iteration of the model utilizes new experimental data to update the hydrogen generation rate, as well as increase the simulated time to a 200-year period. Given the half-life assumed for the primary Cs-137 isotope responsible for gamma radiation in the ATR spent fuel, the 200-year period decreases the decay heat and dose rate of the spent fuel by a factor of 100, which combined with the updated chemistry substantially decreases new hydrogen generation. Continued experimental work has identified trends for aluminum surrogate samples with oxyhydroxide layers for tests done at higher dose rates. At low initial doses a fast generation rate of hydrogen occurs which starts to roll over to a lower generation as the total dose applied increase. A small-scale chemical model was built to replicate as mini-canister surrogate system at SRNL as well as for the smaller capsule tests performed at INL. A variety of chemical models to capture this effect were tested, and a back reaction of H radical absorbing onto the surface, or inhibition of the reaction by significant H 2 cover gas were both able to fit both the mini-canister and the small capsule test data. Both kinetic fits were used to generate data from the new 200-year simulation. As additional experiments continue, the kinetic fits may be adjusted to adapt to new data. However, updated data shows that hydrogen atmosphere has little effect on actual generation data, so the model was reverted to use a star-stepped G-value for low-dose and high-dose regions. For the undried fuel case, the three models differ significantly with an end concentration of 1% for back reaction, 4.2% for inhibition, and 13.1% for constant G-value for the nominal scenario. For the dried fuel case, the nominal cases showed end concentrations of 0.23% for back reaction, 1.9% for inhibition, and 4.2% for const G-value for the nominal scenario. For the constant G-value case that is less conservative than the other two, the pressure for undried fuel increases to 1.94 atm over 200 years for the nominal case and 2.11 atm for the high decay heat case. The total hydrogen concentration after 200 years is 4.92% for the low decay heat case and 27.4% for the high decay heat case for undried fuel and is 1.4% and 9.6% for low and high decay heat fuel for the dried fuel case. If small amount of residual air is present, the potential for nitric acid formation of 595, 1568, and 2816 ppm for the lower, nominal, and upper fuel decay heat can occur. At long-term timeframes no significant shift in major species present occurs, so no appreciable amount of oxygen is present in the system. The continued rate of hydrogen generation in the canister occurs at an increase of 0.04% by mole over the final 10 years. Increasing the model range out to 1000 years continues to drop the hydrogen generation rate through decreasing dose rate.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

CFD-Chemical Model of One-Third Scale Demonstration of DOE Sealed Canister with ATR Fuel

Road-ready and final disposition packaging configurations for the advanced test reactor (ATR) fuel currently specifies storage within helium backfilled DOE sealed standard canisters. The aluminum cladding of the ATR fuel contains an oxyhydroxide layer of boehmite/bayerite that generates hydrogen when subjected to irradiation. Understanding the effect of this hydrogen buildup over time to important for long term storage considerations. Previous modeling efforts have built a coupled CFD-chemical model to simulate the temperature gas phase concentrations within the DOE sealed standard canisters. A demonstration case for these DOE sealed canisters will be eventually performed with a one-third scale mockup that has been instrumented with thermocouples and gas concentration probes. This study seeks to model the planned canister for validation of the previously developed model, such that confidence in its long-term prediction can be increased. The deployment of the instrumented lid for online monitoring in intended for a period of 10+ years based on previous monitoring of commercial fuel storage; however, the model is still run for the previously used 50-year storage periods. This case is modeled with a G-value using a bi-linear function such that it decreases at higher dose rates to be consistent with experiments. Validation efforts of the model would likely revolve around the results for the 1st year, so the results of this timeframe are also highlighted. For dried fuel of the nominal decay heat (18W), the predicted hydrogen concentration is 0.19% after 1 year, 0.91% after 10 years, and 2.8% after 50 years, with a maximum pressure of 1.26 atm. Consistent with previous modeling, the decay heat of the fuel is the main factor that influences the results. For undried fuel in pure helium, the hydrogen concentration ranges from 0.23 to 1.2% after 1 year, 1.25-6.2% after 10 years and 8.8 to 18.84% after 50 years. For dried fuel in pure helium the hydrogen concentration ranges from 0.06% to 0.34% after 1 year, 0.35-2.11% after 10 years and 0.95 to 6.6% after 50 years. While long-term results in the presence of residual air are mostly the same, early reactions with O 2 can delay significant production of H 2 until it is consumed to form more water vapor, lowering the range to 0.14 to 1.0% after 1 year. The maximum absolute pressure that is reached across any scenario is 2.06 atm. In the event of residual air, the presence of nitric acid is possible in the range of 18-131 ppm after 1 year, 174-1180 ppm after 10 years, and 586-3500 ppm after 50 years. As long as the fuel is sufficiently dried, or of nominal decay heat, a 4% lower flammability limit of hydrogen will not be reached within a 10-year monitoring period.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Modeling DOE Standard Canister Configurations with Updated Surface Chemistry

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

Hydrogen Dispersion Modeling for Development of Smart Distributed Monitoring

Studying hydrogen dispersion is crucial for ensuring the safe and effective deployment of hydrogen as an energy carrier. This study presents a comprehensive CFD modeling framework for simulating hydrogen dispersion at a real-world hydrogen production, storage, and utilization facility. Utilizing the Hydrogen Research Facility under the Advanced Research on Integrated Energy Systems (ARIES) at the National Renewable Energy Laboratory's (NREL) Flatirons campus, controlled hydrogen releases at 27 kg-H2/hr were simulated. The model incorporated site-specific atmospheric conditions, including hourly wind speeds and temperatures recorded between 8 AM and 8 PM from October to December 2023. To reduce computational demands, a statistical reduction technique was applied to condense the dataset to 100 representative scenarios, validated by statistical tests for wind speeds and power law coefficients. Simulations were conducted using the Reynolds-Averaged Navier-Stokes equations. Results demonstrated that wind speed substantially influences hydrogen dispersion, with low wind conditions forming concentrated clouds and higher wind speeds stretching the plume. Additionally, clustering analysis informed optimal sensor placement at various elevations with up to 10 sensor locations on each elevation. This framework offers a robust approach for understanding hydrogen behavior in ambient conditions and informing detection strategies.

08 HYDROGEN↗