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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A transported Livengood-Wu integral model for knock prediction in CFD simulation

This work describes the development of a transported Livengood-Wu (L-W) integral model for computational fluid dynamics (CFD) simulation to predict auto-ignition and engine knock tendency. The currently employed L-W integral model considers both single-stage and two-stage ignition processes, thus can be generally applied to different fuels such as paraffin, olefin, aromatics and alcohol. The model implementation is first validated in simulations of homogeneous charge compression ignition combustion for three different fuels, showing good accuracy in prediction of auto-ignition timing for fuels with either single-stage or two-stage ignition characteristics. Then, the L-W integral model is coupled with G-equation model to indicate end-gas auto-ignition and knock tendency in CFD simulations of a direct injection spark ignition engine. This modeling approach is about 10 times more efficient than the ones that based on detailed chemistry calculation and pressure oscillation analysis. Two fuels with same Research Octane Number (RON) but different octane sensitivity are studied, namely Co-Optima Alkylate and Co-Optima E30. Feed-forward neural network model in conjunction with multi-variable minimization technique is used to generate fuel surrogates with targets of matched RON, octane sensitivity and ethanol content. The CFD model is validated against experimental data in terms of pressure traces and heat release rate for both fuels under a wide range of operating conditions. The knock tendency indicated by the fuel energy contained in the auto-ignited region of the two fuels at different load conditions correlates well with the experimental results and the fuel octane sensitivity, implying the current knock modeling approach can capture the octane sensitivity effect and can be applied to further investigation on composition of octane sensitivity.

Yue, Zongyu↗
DOE OSTI2022

Computational Fluid Dynamics and Heat Transfer Modeling of a Dimpled Heat Exchanger

Multiphysics and analytical calculations were conducted for a heat exchanger with passive, natural circulation flow. A glycol/water working fluid convects the heat to a dimpled heat exchanger shell, which subsequently transfers the heat to the soil, which acts as the ultimate heat sink. Because the system is fully-passive, it is not subject to the expenses, maintenance, and mechanical breakdowns associated with moving parts. Density, heat capacity, and thermal conductivity material properties were measured for various soil samples, and subsequently included as input for the soil heat conduction model. The soil model was coupled to a computational fluid dynamics (CFD) heat exchanger model that included the dynamic Smagorinsky large eddy simulation and k- omega turbulence models. The analysis showed that the fluid dynamics and heat transfer models worked properly, albeit at a slow pace. Nevertheless, the coupled CFD/heat conduction simulation ran long enough to determine a key parameter—the amount of heat conducted from the heat exchanger to the ground. This unique performance value, along with experimental data, was used as input for stand-alone, fast-running CFD models, as well as boundaries to obtain solutions to partial differential equations for soil heat conduction.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

CFD-DEM study of bubble properties in a cylindrical fluidized bed of Geldart Group D particles and comparison with prior MRI data

Numerical simulations of a freely bubbling cylindrical fluidized bed are carried out using a coupled computational fluid dynamics and discrete element method (CFD-DEM) model and compared to recent experimental data. The experiments were conducted using high-resolution and high-frequency magnetic resonance imaging providing high-fidelity data of the bubbling within a central 10 mm slice of the bed. Qualitatively, we nd more regular (i.e., less chaotic) structures in the simulated beds than observed experimentally. Quantitatively, however, the bubble diameter and number of bubbles as a function of height within the bed is predicted well by the base model. Unfortunately, the regularity in the simulations manifests as a considerable discrepancy in the speed of the (dense) emulsion phase. The simulated velocity probability distribution functions show an accumulation of low-speed regions and deficiency of high-speed regions. A simple parametric study of the base model is also carried out considering many of the most common CFD-DEM modeling parameters. It is found that the fluid grid size, geometry resolution, transfer kernel and drag law did not have a significant effect on bubble or particle dynamics.

42 ENGINEERING↗
DOE OSTI2026

Modeling Radiolysis and Chemical Reactions during Dry Storage of Aluminum-clad Spent Nuclear Fuel

After aluminum-clad spent nuclear fuel (ASNF) is removed from the reactor, it is initially stored in spent fuel pools, which are specially designed water-filled basins that provide temporary cooling to reduce the temperature of the fuel assemblies and provide radiation shielding. ASNF continues to generate heat due to the radioactive decay of elements within the fuel, which persists for many years post-shutdown as the residual radioactive products decay into more stable elements. During the wet storage period, an oxyhydroxide layer composed of boehmite/bayerite forms on the surfaces of the aluminum cladding from exposure to water in the pools. Road-ready packaging for long-term disposition of the ASNF involves dry storage in helium backfilled DOE standard canisters (DSCs). When the ASNF is removed from water storage and dried, most of the water is removed, but some physisorbed and chemisorbed water remains in the oxyhydroxide layers. This residual water can produce hydrogen when exposed to radiation from the ASNF during dry storage. Predicting hydrogen accumulation over time in the DSCs is critical for long-term storage considerations. Previous modeling efforts have developed coupled computational fluid dynamics (CFD)-chemical models to simulate temperature, pressure, and gas phase concentrations within the DSCs. These models use the thermal field predicted by CFD as input to a radiolysis model for the gas phase and the surface oxyhydroxide layer chemistry. Given the long storage period of the DSCs and the impracticality of long-term experiments, a simulation-based approach is necessary to assess chemical evolution within the canisters. This study advances the development of a modeling framework designed to simulate the chemical evolution of spent fuel canisters. Both thermal and radiation-driven reactions are considered, with radiation kinetics quantified using G-values. Sensitivity analysis identifies key parameters influencing species composition. Reaction pathway diagrams offer insight into dominant species formation routes, enabling more effective comparisons between model predictions and experimental observations, particularly regarding the production of hydrogen. Results show that the model predicts significant hydrogen gas production with minimal oxygen generation, primarily due to hydrogen formation via boehmite pathways. These findings underscore the importance of accurately characterizing surface-bound species and radiolysis kinetics. A deeper understanding of these mechanisms is critical for evaluating the long-term safety of nuclear waste storage.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2020

Coupling reduced‐order modeling and coarse‐grained CFD‐DEM to accelerate coal gasifier simulation and optimization

Abstract High fidelity three‐dimensional (3‐D) numerical simulations of commercial‐scale coal gasifiers are very time consuming and expensive. This article proposes a reduced‐order modeling approach that uses quasi one‐dimensional (1‐D) CFD–DEM simulation results to serve as an accurate initial condition for the 3‐D simulation, which significantly shortens the physical time from several hours to minutes to achieve steady states. The 3‐D simulation employs a previously validated coarse‐grained CFD‐DEM approach, which further accelerates the simulation. Both 1‐D and 3‐D simulations adopt a particle shrinkage scheme to correctly account for the particle volume change due to chemical reaction and thus provides an accurate bed height. Comparison with available experimental measurements of the bed temperature and synthesis gas composition is used to validate the simulation. The final syngas composition and flowrates are strongly affected by the fuel or gasification agent rate and process operating conditions as expected. This approach is then used to optimize two important operating conditions (air and steam flows) to achieve specific gasifier performance goals for the production of Fischer–Tropsch synthesis gas and production of fuel gas for gas turbines.

Yu, Jia↗
DOE OSTI2020

Optimization of a Cyclone Using Multiphase Flow Computational Fluid Dynamics

The U.S. Department of Energy National Energy Technology Laboratory's (NETL) 50 kW th chemical looping reactor (CLR) has an underperforming cyclone, which was designed using empirical correlations. To improve the performance of this cyclone using computational fluid dynamics (CFD)-based modeling simulations, four critical design parameters including the vortex tube radius and length, barrel radius, and the inlet width and height were optimized. Here, NETL's open source multiphase flow with interphase exchange (MFiX) CFD code has been used to model a series of cyclones by systematically varying the geometric design parameters. To perform the optimization process, the surrogate modeling and sensitivity analysis followed by the optimization capability in nodeworks was used. The basic methodology for the process is to employ a statistical design of experiments (DOE) method to generate sampling simulations that fill the design space. Corresponding CFD models are then created, executed, and postprocessed. A response surface is created to characterize the relationship between input parameters and the quantities of interest (QoI). Finally, the CFD-surrogate is used by an optimization method to find the optimal design condition based on the objective and constraints prescribed. The resulting optimal cyclone has a larger diameter and longer vortex tube, a larger diameter barrel, and a taller and narrower solids inlet. The improved design has a predicted pressure drop 11 times lower than the original design while reducing the mass loss by a factor of 2.3.

42 ENGINEERING↗
DOE OSTI2020

Real Fuel Modeling for Gasoline Compression Ignition Engine

Increasing regulatory demand for efficiency has led to development of novel combustion modes such as HCCI, GCI and RCCI for gasoline light duty engines. In order to realize HCCI as a compression ignition combustion mode system, in-cylinder compression temperatures must be elevated to reach the autoignition point of the premixed fuel/air mixture. This should be co-optimized with appropriate fuel formulations that can autoignite at such temperatures. CFD combustion modeling is used to model the auto ignition of gasoline fuel under compression ignition conditions. Using the fully detailed fuel mechanism consisting of thousands of components in the CFD simulations is computationally expensive. To overcome this challenge, the real fuel is represented by few major components of create a surrogate fuel mechanism. In this study, 9 variations of gasoline fuel sets were chosen as candidates to run in HCCI combustion mode. A study detailing the development of the gasoline real fuel model was performed and various surrogates for gasoline fuel were investigated. The gasoline real fuel model will be used in subsequent CFD modelling activities for the development of an advanced mixed mode combustion system as part of the Department of Energy funded project DE-EE0008478.

Gasoline Compression Ignition, real fuel modeling,↗
DOE OSTI2022

Detailed biomass fast pyrolysis kinetics integrated to computational fluid dynamic (CFD) and discrete element modeling framework: Predicting product yields at the bench-scale

Fast pyrolysis is an intricate process due to the variability and anisotropy of lignocellulosic biomass and the complicated chemistry and physics during conversion in a bubbling fluidized bed reactor (BFBR). The complexity of biomass fast pyrolysis lends itself well to computational fluid dynamics (CFD) and discrete element (DEM) analysis, which promises to reduce experimental time and its associated cost. This work investigated switchgrass fast pyrolysis simulated by computational fluid dynamics coupled with a discrete element method to track individual reacting biomass particles throughout a bench-scale BFBR reactor. We accounted for the fast pyrolysis chemistry through a comprehensive reaction scheme with secondary cracking reactions. We performed a three-step reduction for secondary cracking reactions to convert the full cracking scheme into a reduced scheme easily incorporated into our model. We assessed the impact of operational conditions on the steady-state yields of liquid bio-oil, non-condensable gases (NCG), at 550 °C over a range of fluidization numbers (2 – 6 Umf), reported as a ratio to the minimum fluidization velocity (Umf). At steady-state, the volatile bio-oil yield had a range of 49.3–50.4 wt%. Levoglucosan was the primary volatile component present with 21 wt% of the bio-oil while water was the second largest with 20 wt%. The reduction of the secondary reaction schemes did not appreciably affect the overall yields of switchgrass pyrolysis compared to the full secondary scheme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

HELIUM LEAK TEST MODELING OF A SPENT NUCLEAR FUEL CANISTER

The U.S. Department of Energy (DOE) is considering the development of one or more federal consolidated interim storage facilities (CISFs) to be used to store commercial spent nuclear fuel (SNF) at locations in the U.S. One of the first technical challenges of a CISF is performing an inspection of SNF canisters upon their receipt to confirm they can be placed into the CISF’s licensed storage configuration. The canister receipt inspection is critical to CISF site operations. The test is conceived as being a helium (He) leak check, intended to confirm that the confinement boundary of a SNF canister is intact. SNF canisters are filled with He when they are sealed, so detection of a He leak indicates that a through-wall flaw has occurred in the canister confinement boundary. Other measurements are planned to occur upon canister receipt in addition to the He leak check such as krypton-85 measurements, which would indicate confinement breaches of one or more fuel rods in addition to a breach of the SNF canister. However, the He leak check has been identified as one of such high importance and has such significant technical challenges that a full-scale demonstration is needed to confirm the He leak test’s viability and to assist in planning relative to its operational requirements. A modeling methodology for simulating the He detection test was developed to help inform the test plan and the design of the test vessels. To develop the modeling methodology a detailed computational fluid dynamics (CFD) benchmark model was constructed to compare against leak rate test data from a transportation package for radioactive material. This report is focused on modeling efforts to simulate the benchmark leak test.

Suffield, Sarah R.↗
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 OSTI2023

Modeling DOE Standard Canister Configurations with Updated Surface Chemistry

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. 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 rate as the total dose applied in increased. A previous study created a small-scale chemical model was built to replicate a mini-canister surrogate system at SRNL as well as for the smaller capsule tests performed at INL. The previous iteration of the model utilized step function for its G-values for the hydrogen generation over a 200-year period. This model makes an update to the surface chemistry to account for theorized surface chemistry reactions allowing for oxygen to remain bounded to the oxyhydroxide layer. As additional experiments continue, the kinetic fits may be adjusted to adapt to new data. Three canister configurations are modeled – the base 18-inch, 15-foot DOR standard canister with 30 ATR fuel elements, an 18-inch, 10-foot DOE standard canister with 32 ATR fuel elements and a 24-inch, 10-foot DOE standard canister with 40 ATR fuel elements. In previous reports, the primary sensitivity of the canister conditions was identified as the decay heat of the fuel and the dried condition of the fuel. Only these parameters are studied in the report. For the nominal case with dried fuel, the hydrogen generation is only about 2%, so it is even less than the flammability limit if it were exposed to oxygen. For the densely packed 18-inch case the total hydrogen concentration is only around 4% with the nominal decay heat. For the densely packed 24-inch case the total hydrogen concentration is only 2.5%, roughly 20% higher than the original packing design, and still under flammability conditions if exposed to oxygen.

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

MFIX-Exa: A path toward exascale CFD-DEM simulations

MFIX-Exa is a computational fluid dynamics–discrete element model (CFD-DEM) code designed to run efficiently on current and next-generation supercomputing architectures. MFIX-Exa combines the CFD-DEM expertise embodied in the MFIX code—which was developed at NETL and is used widely in academia and industry—with the modern software framework, AMReX, developed at LBNL. The fundamental physics models follow those of the original MFIX, but the combination of new algorithmic approaches and a new software infrastructure will enable MFIX-Exa to leverage future exascale machines to optimize the modeling and design of multiphase chemical reactors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Predeployment progress of the Canister Deposition Field Demonstration

This report updates the high-level test plan for evaluating surface deposition on three commercial 32PTH2 spent nuclear fuel (SNF) canisters inside NUTECH Horizontal Modular Storage (NUHOMS) Advanced Horizontal Storage Modules (AHSMs) from Orano (formerly Transnuclear Inc.) and provides a summary of the surface sampling activities that have been conducted to date. The details contained in this report represent the best designs and approaches explored for testing as of this publication. Given the rapidly developing nature of this test program, some of these plans may change to accommodate new objectives or requirements. One goal of this testing is to collect defensible and detailed dust deposition measurements from the surface of dry storage canisters in a marine coastal environment to guide chloride-induced stress corrosion cracking (CISCC) research. Another goal is to provide data for the validation of computational fluid dynamics (CFD) based deposition modeling. To facilitate surface sampling, the otherwise highly prototypic dry storage systems will not contain SNF but rather will be electrically heated to mimic the decay heat and thermal hydraulic environment. Test and heater design is supported by detailed CFD modeling. Instrumentation throughout the canister, storage module, and environment will provide extensive information about the thermal-hydraulic behavior of horizontal dry cask storage systems. Manual sampling over a comprehensive portion of the canister surface at regular time intervals will offer detailed quantification and composition of the deposited particulates from a realistic storage environment. Discussions of a potential host site for the Canister Deposition Field Demonstration (CDFD) are ongoing. Until a host site is chosen, testing of key CDFD hardware components including the heater assemblies, power skid, and remote data acquisition system will continue. Functional testing of the finalized heater assemblies and test apparatus started this fiscal year. These initial heater tests have shown the assemblies are performing within design specifications. Staged surface sampling of a mockup of a canister outside the AHSM on a transfer skid was also performed. Refinements to the sampling procedures and techniques were captured from observation of these activities and lessons-learned debriefs. These updated sampling procedures and techniques are planned to be tested again in the field using the mockup in order to assure personnel are using the most accurate and repeatable methods possible prior to deployment for actual CDFD testing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

A hybrid porous model for full reactor core scale CFD investigation of a prismatic HTGR

Three-dimensional (3-D) Computational Fluid Dynamics (CFD) analysis of a whole nuclear reactor core is a tremendous challenge due to the large geometric volume and complex structures. Here, this research presents a hybrid porous (HP) model to simplify a prismatic High Temperature Gas-cooled Reactor (HTGR) core, so 3-D CFD investigation can be performed on a full reactor core scale. In the HP model, the prototypic small coolant channels in the nuclear fuel blocks are lumped together to form multiple equivalent large coolant channels, and then the porous medium flow model is applied to each of them. Therefore, heat transfer in fuel blocks is computed by a hybrid combination of solid energy and porous flow energy equations. The similarity between the HP model and prototypic model is achieved by deriving the porous flow permeability, inertial resistance factor, and artificial thermophysical properties. Compared with the widely used whole porous (WP) flow model, the HP model preserves more realistic geometric structures, and therefore more accurate physical processes. The General Atomics' Modular High Temperature Gas-cooled Reactor (MHTGR) design was chosen as a prototype to demonstrate the methodology. Simulations were performed using the prototypic CFD model and HP model at steady-state forced circulation, steady-state natural circulation, and transient conditions that correspond to normal operation, extended period of pressurized cool down, and short-term transients after reactor shutdown, respectively. The comparison shows good agreement between the HP model and prototypic model in the maximum fuel temperature, average solid temperature, and helium flow rate, which demonstrates the potential applicability of the HP model for a full reactor core scale simulation in the future. As a benefit, the HP model reduces the mesh quantity by a factor of 50 from a prototypic model. Correspondingly, the computation time was reduced by a factor of at least 30.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗