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Sensitivity Analysis of an Experimental Breeder Reactor II Fuel Assembly

The Experimental Breeder Reactor II (EBR-II) was selected as a candidate for a reactor physics benchmark evaluation due to its unique features and capabilities. In connection with the benchmark evaluation, the goal of this work was to perform a sensitivity analysis. The EBR-II was a sodium cooled, pool type, metal fueled, fast spectrum reactor. EBR-II operated from 1964 through 1994. It had a maximum heat output of 62.5 MW which could produce 20 MW of electricity. The design of EBR-II consisted of 637 hexagonal shaped, removable assemblies. The assemblies were divided into three regions: the core, an inner blanket, and an outer blanket. The core region contained assemblies with 91 fuel rods in each. The fuel was enriched uranium metal and was clad within stainless steel. The core region also included two safety assemblies and eight control assemblies with the difference being that these assemblies only contained 61 fuel rods. Additional assemblies in the core region included stainless steel dummies, half worth drivers, and experimental/instrumentation assemblies. The inner blanket region initially consisted of depleted uranium for fuel breeding, but was replaced, after proving the concept of breeding, with stainless steel reflectors for the purpose of irradiation. The outer blanket region consisted of depleted uranium. Figure 1 shows a cross section view of the EBR-II core layout. Each assembly was approximately 234 cm long with the uranium fuel section being 33 cm long. Above and below the fuel were stainless steel neutron reflectors. Additionally, orifices at the bottom of the assembly allowed for sodium coolant to flow upward, with larger holes in the subassemblies at the center where the greatest heat was produced. The core of EBR-II was enclosed by a stainless steel reactor vessel which was comprised of a radial shell, a lower grid plenum structure, and an upper reactor vessel cover that served as a neutron shield. Surrounding the reactor vessel radially were layers of graphite and borated graphite shielding. The entire assembly is submerged 3 meters in a pool of sodium. The pool contained up to 337,000 liters of sodium which was forced through the core and blanket regions using two centrifugal pumps that were also submerged within the sodium pool. The design of EBR-II included many safety features. The compatibility between the sodium and stainless steel prevented corrosion and therefore the risk of a radioactive release due to corrosion. The sodium coolant was kept at near atmospheric pressure which made any leak more controllable. The metal fuel, cladding, and coolant allowed for heat to be removed easily. The large volume of sodium allowed for heat to be absorbed without problems occurring. Lastly, the reactor would expand as temperature increased which would result in greater neutron leakage. This extra leakage caused a large negative temperature reactivity feedback which automatically shut the reactor down in case of an accident. EBR-II had unique capabilities which were proven during the Integral Fast Reactor initiative. This program lasted from 1984 to 1994. The goal of this program was to solve many of the perceived problems with nuclear energy through scientific means. The safety features of EBR-II were put to the test in April 1986. The tests simulated loss of reactor coolant flow and loss of a heat sink. For both of these tests, the reactor was at 100% power and was not scrammed. During both tests, the reactor shut itself down and achieved a safe steady state temperature all due to the design of the reactor. It was because of these tests that EBR-II was chosen for a reactor physics benchmark evaluation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Cost Analysis of Heavy-Duty Vehicle Proton Exchange Membrane Fuel Cell Stationary Power Plants

Heavy-duty PEM fuel cells could be a low-cost, low emission alternative to combustion turbines for re-electrifying hydrogen if used as part of a long duration grid energy storage systems. Many studies expect heavy duty PEM fuel cell production costs to reduce as manufacturing volumes ramp up and their expected durability of 25,000-30,000 hours aligns well with a 30-year life for hydrogen seasonal energy storage plants that would likely operate less than 10% of the year. The labor, material, and equipment costs associated with installing PEM fuel cells and their required balance of plant for stationary applications have not been thoroughly explored, however. This study performs a detailed design and cost analysis of a 100 MW stationary PEM fuel cell power plant, capturing costs such as cooling, power electronics, pipes, valves, fittings, cabling, conduit, concrete foundations, buildings, and land. It employs methods consistent with NLR's solar PV benchmarking cost analysis and annual technology baseline to derive the total installed costs of stationary PEM fuel cell plants that utilize heavy duty PEM fuel cells.

08 HYDROGEN↗

Complete Sensitivity/Uncertainty Analysis of LR-0 Reactor Experiments with MSRE FLiBe Salt and Perform Comparison with Molten Salt Cooled and Molten Salt Fueled Reactor Models

In September 2016, reactor physics measurements were conducted at Research Centre Rez (RC Rez) using the FLiBe (2 7 LiF + BeF 2 ) salt from the Molten Salt Reactor Experiment (MSRE) in the LR-0 low power nuclear reactor. These experiments were intended to inform on neutron spectral effects and nuclear data uncertainties for advanced reactor systems using FLiBe salt in a thermal neutron energy spectrum. Oak Ridge National Laboratory (ORNL), in collaboration with RC Rez, performed sensitivity/uncertainty (S/U) analyses of these experiments as part of the ongoing collaboration between the United States and the Czech Republic on civilian nuclear energy research and development. The objectives of these analyses were (1) to identify potential sources of bias in fluoride salt-cooled and salt-fueled reactor simulations resulting from cross section uncertainties, and (2) to produce the sensitivity of neutron multiplication to cross section data on an energy-dependent basis for specific nuclides. This report provides a final report on the S/U analyses of critical experiments at the LR-0 Reactor relevant to fluoride salt-cooled high temperature reactor (FHR) and liquid-fueled molten salt reactor (MSR) concepts. In the future, these S/U analyses could be used to inform the design of additional FLiBe-based experiments using the salt from MSRE. The key finding of this work is that, for both solid and liquid fueled fluoride salt reactors, radiative capture in 7 Li is the most significant contributor to potential bias in neutronics calculations within the FLiBe salt.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NDARC NASA Design and Analysis of Rotorcraft - Input, Appendix 4

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description consists of all the information, input and derived, that denes the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions. The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for anti-torque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude.

Rotorcraft Input↗

NDARC - NASA Design and Analysis of Rotorcraft: Input and Data Structures - Vol 2

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. Figure 1-1 illustrates the tasks. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description (figure 1-1) consists of all the information, input and derived, that defines the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions (indicated by light arrows). The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission (burned plus reserve) equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for antitorque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude. The aircraft must be trimmed, by solving for the controls and motion that produce equilibrium in the specified flight state. Different trim solution definitions are required for various flight states. Evaluating the rotor hub forces may require solution of the blade flap equations of motion.

NDARC↗

NDARC - NASA Design and Analysis of Rotorcraft: Input - Vol 3

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. Figure 1-1 illustrates the tasks. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description (figure 1-1) consists of all the information, input and derived, that defines the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions (indicated by light arrows). The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission (burned plus reserve) equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for antitorque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude. The aircraft must be trimmed, by solving for the controls and motion that produce equilibrium in the specified flight state. Different trim solution definitions are required for various flight states. Evaluating the rotor hub forces may require solution of the blade flap equations of motion.

NDARC↗

NDARC - NASA Design and Analysis of Rotorcraft: Input - Appendix 3

The NDARC code performs design and analysis tasks. The design task involves sizing the rotorcraft to satisfy specified design conditions and missions. The analysis tasks can include off-design mission performance analysis, flight performance calculation for point operating conditions, and generation of subsystem or component performance maps. Figure 1-1 illustrates the tasks. The principal tasks (sizing, mission analysis, flight performance analysis) are shown in the figure as boxes with heavy borders. Heavy arrows show control of subordinate tasks. The aircraft description (figure 1-1) consists of all the information, input and derived, that defines the aircraft. The aircraft consists of a set of components, including fuselage, rotors, wings, tails, and propulsion. This information can be the result of the sizing task; can come entirely from input, for a fixed model; or can come from the sizing task in a previous case or previous job. The aircraft description information is available to all tasks and all solutions (indicated by light arrows). The sizing task determines the dimensions, power, and weight of a rotorcraft that can perform a specified set of design conditions and missions. The aircraft size is characterized by parameters such as design gross weight, weight empty, rotor radius, and engine power available. The relations between dimensions, power, and weight generally require an iterative solution. From the design flight conditions and missions, the task can determine the total engine power or the rotor radius (or both power and radius can be fixed), as well as the design gross weight, maximum takeoff weight, drive system torque limit, and fuel tank capacity. For each propulsion group, the engine power or the rotor radius can be sized. Missions are defined for the sizing task, and for the mission performance analysis. A mission consists of a number of mission segments, for which time, distance, and fuel burn are evaluated. For the sizing task, certain missions are designated to be used for design gross weight calculations; for transmission sizing; and for fuel tank sizing. The mission parameters include mission takeoff gross weight and useful load. For specified takeoff fuel weight with adjustable segments, the mission time or distance is adjusted so the fuel required for the mission (burned plus reserve) equals the takeoff fuel weight. The mission iteration is on fuel weight or energy. Flight conditions are specified for the sizing task, and for the flight performance analysis. For the sizing task, certain flight conditions are designated to be used for design gross weight calculations; for transmission sizing; for maximum takeoff weight calculations; and for antitorque or auxiliary thrust rotor sizing. The flight condition parameters include gross weight and useful load. For flight conditions and mission takeoff, the gross weight can be maximized, such that the power required equals the power available. A flight state is defined for each mission segment and each flight condition. The aircraft performance can be analyzed for the specified state, or a maximum effort performance can be identified. The maximum effort is specified in terms of a quantity such as best endurance or best range, and a variable such as speed, rate of climb, or altitude. The aircraft must be trimmed, by solving for the controls and motion that produce equilibrium in the specified flight state. Different trim solution definitions are required for various flight states. Evaluating the rotor hub forces may require solution of the blade flap equations of motion.

NDARC↗

Modeling and Simulation of Used Nuclear Fuel During Transportation with Consideration of Hydride Effects and Cyclic Fatigue

The objective of this work is to understand the integrity of Used Nuclear Fuel (UNF) during transportation. Previous analysis work has been performed to look at the integrity of UNF during transportation but these analyses have neglected to analyze the effect of hydrides and flaws (fracture mechanics models to capture radial cracking in the cladding). In this study, the clad regions of interest are near the pellet-pellet interfaces. These regions can experience more complex stress-states than the rest of the clad during cooling and have a greater possibility to develop radially reoriented hydrides during vacuum drying.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Diffusion behaviors between Fe and Pd-containing metallic fuel

Historical interest in metallic fuel, including U-Zr and U-Pu-Zr, is due to the high thermal conductivity, high burnup capability, high fissile atom density, and good compatibility with the coolant in sodium-cooled fast reactor conditions. The notable fuel application issue is the fuel-cladding chemical interaction (FCCI). The major cause of FCCI is the lanthanide fission products that migrate to the fuel periphery and deposit on the fuel cladding. Chemical interactions between the lanthanides and cladding will result in a cladding breach. Thus additives were sought that would immobilize the lanthanides by forming stable additive-lanthanide compounds. Palladium (Pd) is being explored as a potential additive. The microstructure of metallic fuels, including U-Zr and U-Pu-Zr, with Pd addition have been characterized. The post-irradiation examination on the U-13Zr-4Pd wt% alloy has found a pronounced effect of Pd on the fuel-cladding interface. The current study performed preliminary tests of diffusion couple and microstructure analysis, in order to investigate the chemical interactions between cladding and fuel with Pd addition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Seal Analysis for the Ares-I Upper Stage Fuel Tank Manhole Cover

Techniques for studying the performance of Naflex pressure-assisted seals in the Ares-I Upper Stage liquid hydrogen tank manhole cover seal joint are explored. To assess the feasibility of using the identical seal design for the Upper Stage as was used for the Space Shuttle External Tank manhole covers, a preliminary seal deflection analysis using the ABAQUS commercial finite element software is employed. The ABAQUS analyses are performed using three-dimensional symmetric wedge finite element models. This analysis technique is validated by first modeling a heritage External Tank liquid hydrogen tank manhole cover joint and correlating the results to heritage test data. Once the technique is validated, the Upper Stage configuration is modeled. The Upper Stage analyses are performed at 1.4 times the expected pressure to comply with the Constellation Program factor of safety requirement on joint separation. Results from the analyses performed with the External Tank and Upper Stage models demonstrate the effects of several modeling assumptions on the seal deflection. The analyses for Upper Stage show that the integrity of the seal is successfully maintained.

Phillips, Dawn R.↗

Shielding Analysis Capability of UNF-ST&DARDS

The Used Nuclear Fuel Storage, Transportation and Disposal Analysis Resource and Data System (UNF-ST&DARDS) is used to perform dose rate calculations for spent nuclear fuel (SNF) transportation packages based on the actual physical and nuclear characteristics (i.e., assembly design, burnup, initial enrichment, and cooling time) of the as-loaded SNF. Nuclear fuel data, transportation package model templates, and SNF canister loading map information residing within the tool facilitate automated generation of SCALE input files for radiation source term and dose rate calculations. Transportation package specific models developed for UNF-ST&DARDS dose rate analyses are described in detail. UNF-ST&DARDS dose rate analyses were performed in this paper for over 400 SNF canisters from 16 sites in their designated transportation casks. For simplicity, representative dose rate calculation results are presented as a function of time (i.e., selected calendar years between 2020 and 2100) for 73 SNF canisters in dry storage at four sites. For these canisters, the projected maximum dose rate values at 2 m from the lateral surfaces of the vehicle under normal conditions of transport (NCT) would vary between 1.9 and 11.5 mrem/h in 2020. Five SNF canisters will exceed the regulatory dose rate limit of 10 mrem/h at 2 m in 2020, and the analyzed SNF canisters will comply with regulatory dose rate limits by 2030. An analysis of the impact on the dose rate of fuel failure and reconfiguration during transportation indicated that the maximum dose rate for hypothetical accident conditions will be unaffected, and the NCT maximum dose rate at 2 m would have a maximum increase by a factor of 1.7 for a representative pressurized water reactor package and by a factor of 2.6 for a representative boiling water reactor package relative to intact fuel. Finally, analysis of the actual heat loading and the dose rate at 2 m from the lateral surface of the vehicle for the five SNF canisters exceeding the NCT regulatory dose rate limit of 10 mrem/h in 2020 showed that the dose rate could be more limiting with respect to regulatory requirements than the heat loading; i.e., the canister transportability date may be evaluated based on the transportation package’s external dose rate.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cell module and fuel conditioner development

The efforts performed to develop a phosphoric acid fuel cell (PAFC) stack design having a 10 kW power rating for operation at higher than atmospheric pressure based on the existing Mark II design configuration are described. The work involves: (1) Performance of pertinent functional analysis, trade studies and thermodynamic cycle analysis for requirements definition and system operating parameter selection purposes, (2) characterization of fuel cell materials and components, and performance testing and evaluation of the repeating electrode components, (3) establishment of the state-of-the-art manufacturing technology for all fuel cell components at Westinghouse and the fabrication of short stacks of various sites, and (4) development of a 10 kW PAFC stack design for higher pressure operation utilizing the top down systems engineering approach.

Feret, J. M.↗

An efficient approach for prediction of Warburg-type resistance under working currents

In the present paper, an efficient approach for the prediction of Warburg-type element is proposed via the analysis of the anode-supported solid oxide fuel cell (SOFC) performance under various working conditions. The details of the performance, polarization curves, impedance behavior, and species distribution profiles within the electrode are investigated via the combination of equivalent circuit model (ECM) analysis and multiphysics numerical simulations. The multiphysics simulation is developed and calibrated with experimental results of SOFC button cells under various working currents. With the complete datasets generated from the calibrated simulations, the trends of the element parameters involved in equivalent circuit model are analyzed. Generalized empirical functions are proposed as well as the procedures of prediction of performance under different conditions. The verification cases show good agreement between the predicted results from proposed model and the reference results. This proposed approach can be utilized to quickly predict the properties for desired performance in the manufacturing processes, and it also has the potential of reducing the computational cost in the simulation of large SOFCs.

25 ENERGY STORAGE↗

Transient uncertainty quantification and Global Sensitivity Analysis of the open-source Molten Chloride Reactor Experiment (MCRE) using GP-PCA surrogate models

Uncertainties in the thermophysical properties of molten salts impact both the steady-state and transient behavior of Molten Salt Reactors (MSRs). In this work, we aim to quantify the influence of such uncertainties on the transient operation of the Molten Chloride Reactor Experiment (MCRE), utilizing the open-source specifications provided for this reactor. Seven representative transient scenarios are considered. For each scenario, we evaluate the impact of thermophysical property uncertainties on four key multiphysics model output variables of interest (VoIs): maximum power density, maximum fuel temperature, maximum reflector temperature, and average fuel velocity magnitude. In addition, we perform a Global Sensitivity Analysis (GSA) by computing Sobol’ indices for the uncertain input parameters to determine their contribution to the variability of each VoI. Conducting GSA is computationally intensive due to the large number of required evaluations of the high-fidelity multiphysics model. To mitigate this cost, we develop a surrogate modeling framework that combines Gaussian Process (GP) regression with Principal Component Analysis (PCA), enabling efficient sample generation for the GSA. Our results show that for energy-related VoIs, thermal conductivity is the dominant contributor to uncertainty. In contrast, for flow-related VoIs, density and dynamic viscosity are the primary sources of uncertainty. The specific heat of the fuel salt was found to play a secondary role in the transient analyses.

42 - ENGINEERING↗

Sustainable Aviation Fuels from 30,000 feet – Scoping Report

A literature review, first principles analysis, and mapping of the airline-fuel infrastructure were performed to reassess the potential for various means of realizing a sustainable aviation sector. The literature review found a plethora of technical methods to make the airline industry net-zero CO 2 but limited work on the emergent barriers to sustainable aviation implementation such as land use, repurposing of fuel refining assets, and airline cost structures. First principles analyses of the energy, land, and costs of three broad net-zero strategies were performed to determine if sustainable aviation is feasible even in the most optimistic scenarios. Those methods were biomass-derived sustainable aviation fuel (SAF), fuel produced from CO 2 captured from the air and H 2 produced from water electrolysis (air-to-fuel: ATF), and offsetting fossil-derived Jet Fuel with carbon dioxide removal from the atmosphere (direct air capture and storage: DACS). Offsetting CO 2 emissions from using fossil Jet Fuel with DACS was found to consume the least energy, require the smallest quantity of land, and be the cheapest option. Replacing Jet Fuel with SAF was found to be only slightly more expensive than DACS but require substantially more land. ATF was found to be the most expensive and energy intensive option, though it did spare land relative to SAF. We found that calls to utilize waste biomass are well-founded, but wastes alone cannot cover the needs of the global airline industry. This means additional land will need to be allocated for biomass cultivation if SAF becomes the primary pathway to sustainable aviation. While differences were found in the performance of different types of biomass, those differences were small relative to differences with ATF and DACS. An analysis of the pricing structure of the airline industry suggests that some of the cost advantage of DACS may be erased by consumer sentiment which could explain why, to-date, the airline industry is focused primarily on SAF and to a lesser extent ATF. Further work is required to estimate the transportation, capital cost, and financing cost implications of greenfield and brownfield sites for SAF, DACS, and ATF. In the final report, we will analyze the potential to retrofit corn ethanol facilities to operate the ethanol-to-jet fuel process in response to decreasing gasoline demand as the electrification of road transport progresses. We will also construct a prioritization of land use to determine whether each net-zero CO 2 aviation pathway can make claim to the land required by their technology.

09 BIOMASS FUELS↗

An improved detailed chemical kinetic model for C3-C4 linear and iso-alcohols and their blends with gasoline at engine-relevant conditions

Propanol and butanol isomers have received significant research attention as promising fuel additives or neat biofuels. Robust chemical kinetic models are needed that can provide accurate and efficient predictions of combustion performance across a wide range of engine relevant conditions. Herein, this study seeks to improve the understanding of ignition and combustion behavior of pure C3-C4 linear and iso-alcohols, and their blends with gasoline at engine-relevant conditions. In this work, a kinetic model with improved thermochemistry and reaction kinetics was developed based on recent theoretical calculations of H-atom abstraction and peroxy radical reaction rates. Kinetic model validations are reported, and the current model reproduces the ignition delay times of the C3 and C4 alcohols well. Variations in reactivity over a wide range of temperatures and other operating conditions are also well predicted by the current model. Recent ignition delay time measurements from a rapid compression machine of neat iso-propanol and iso-butanol [Cheng et al., Proc. Combust Inst. (2020)] and blends with a research grade gasoline [Goldsborough et al., Proc. Combust Inst. (2020)] at elevated pressure (20–40 bar) and intermediate temperatures (780–950 K) were used to demonstrate the accuracy of the current kinetic model at conditions relevant to boosted spark-ignition engines. The effects of alcohol blending with gasoline on the autoignition behavior are discussed. The current model captures the suppression of reactivity in the low-temperature and negative-temperature-coefficient (NTC) region when either isopropanol and isobutanol are added to a research grade gasoline. Sensitivity and reaction flux analysis were performed to provide insights into the relevant fuel chemistry of the C3-C4 alcohols.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the hot surface ignition of a wall-stagnating spray flame

The ignition of fuel sprays due to interaction with hot surfaces is an important phenomenon in the safety analysis of many engineering systems. We perform a parametric study of the hot surface ignition (HSI) of a fuel spray approaching a heated surface caused by the accidental leakage of a fuel line. Here, to this end, we employ a one-dimensional Eulerian-Eulerian formulation with a non-equilibrium evaporation model and a realistic chemical mechanism to describe $n$-dodecane fuel chemistry. We first describe and analyze the phenomenology of the unsteady processes leading to ignition using non-dimensionalized quantities. Through consideration of the temporal development of the most reactive mixture, we demonstrate that ignition occurs at a fuel-lean composition in a premixed region near the hot surface. Using non-dimensional parameters identified from the governing equations, we perform a parametric study of the time, location and local mixture composition at ignition and determine the ignition limits. We then identify the most important parametric sensitivities for physical analysis using a data-driven classification method. Our analysis demonstrates a contraction of the ignition limits with increased Stokes number and a regime of parametric insensitivity of igniting mixture composition. We also show that at high Damköhler numbers, the ignition location conforms to the parametric behavior of the thermal boundary layer, whereas at low Damköhler numbers approaching the ignition limit it reaches a near-unity value of the quenching Peclet number. We then compare the demonstrated parametric dependencies to the results of the quasi-steady asymptotic ignition literature, showing that our results are consistent with those obtained analytically within the limitations imposed by the simplified formulation of the latter.

42 ENGINEERING↗

Fuel Fabrication Specification Impact Analysis for NBSR LEU Conversion

As part of a national initiative to enhance nuclear security and reduce proliferation risks, significant efforts have been undertaken by the National Nuclear Security Administration Material Management and Minimization Office of Reactor Conversion Program to convert U.S. high performance research reactors (USHPRRs) from the use of highly enriched uranium (HEU) to low-enriched uranium (LEU), including the National Bureau of Standards Reactor (NBSR). The current plan is to procure LEU fuel assemblies from commercial fabricators according to fuel specifications tailored for each USHPRR. The analysis conducted at Brookhaven National Laboratory was part of an effort to identify the sources of uncertainty in the fuel specifications that may impact the performance of the NBSR core after its conversion and, in particular, to assess the range of acceptable tolerance limits from the perspective of core safety and reactor performance. Using the stochastic neutronics code MCNP 6.2, the variations in important NBSR neutronics characteristics were analyzed as a function of the specification parameters independently and in combination. The important NBSR specification parameters analyzed were the fuel isotopic composition, the amount of impurity content in cladding, the fuel plate thickness, and the fuel element 235U mass loading. The range of variation of each specification parameter was based on the technical specification limit or available as-fabricated assay data and uncertainties. The NBSR neutronics characteristics selected for analysis were the reactor reactivity characteristics at equilibrium and the equilibrium fuel cycle length. Results show that with variations in the fabrication parameters of the as-fabricated U-10Mo fuel within the specification limitations, the excess reactivity of the NBSR LEU core remains well below the 15% Δk/k technical specification limit, and the shutdown margin is always significantly greater than the required 0.68% Δk/k. This ensures that the NBSR can be operated safely and reliably shut down for all analyzed cases within the specified fabrication limits after the LEU conversion. In the prototypic case, the fuel cycle length was 1.5 days longer than the targeted 38.5 days. In a credible worst-case scenario, where all low-reactivity parameters were combined, the fuel cycle length was reduced to 35.5 days, which is still considered manageable for reactor operations. Variations in cycle length are primarily driven by changes in 235U loading, with other parameters having secondary effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗