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DOE OSTI2023

On-the-Fly Energy Condensation for Whole-Core Multiphysics Simulations

As the nuclear energy industry considers ways to achieve improved economics in the current fleet of light-water reactors (LWRs), one possible approach is to operate each cycle longer. This causes a greater portion of the fuel to be burned and reduces the frequency of outages, which ultimately reduces the cost to operate the reactor. However, this also leads to higher burnup fuels than have traditionally been allowed in these reactors. There are concerns about integrity of high-burnup (HBu) fuel, especially during accident conditions such as loss-of-coolant accidents (LOCAs), as shown by Capps et al. To investigate these concerns, advanced modeling and simulation capabilities are under development to determine the susceptibility of HBu fuel to fuel fragmentation, relocation, and dispersion (FFRD). Improvements have previously been made to fuel performance capabilities to model these phenomena more accurately; multiphysics simulations have also been conducted to determine the power and burnup histories of the HBu fuel, which are needed as inputs to the fuel performance calculations. Most recently, new statistical approaches have been developed to identify a subset of fuel rods that have greater FFRD susceptibility, reducing the total number of fuel performance simulations required.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1988

Evaporation And Ignition Of Dense Fuel Sprays

Simple theoretical model makes useful predictions of trends. Pair of reports presents theoretical model of evaporation and ignition of sprayed liquid fuel. Developed as part of research in combustion of oil and liquid fuels derived from coal, tar sand, and shale in furnace. Work eventually contributes to increase efficiency of combustion and decrease pollution generated by burning of such fuels.

Bellan, Josette↗

DOE OSTI2023

Experiments and Simulations of Droplet Burning of Isobutanol Mixed with a Tier II Gasoline Certification Fuel and its Surrogate, Paper Number: SHTC2023-115267

This study presents an experimental and numerical results of combustion dynamics of a Tier II certification fuel/iso-butanol mixtures and its surrogate(S5)/iso-butanol mixtures. The experiments were carried out where gas transport was determined entirely by fuel evaporation to promote spherical symmetry during the burning process. The droplet initial diameters were in the range 0.55 mm to 0.62 mm. The combustion characteristics such as droplet diameters, flame standoff ratios and soot shell standoff ratios of indolene/iso-butanol mixtures are compared with S5/iso-butanol mixtures and the implications of iso-butanol addition to indolene and S5 on combustion are discussed. The presence of iso-butanol is experimentally found to reduce the formation of soot as the iso-butanol concentration was increased and the iso-butanol addition insignificantly influence the burning rate. Simulations were carried out with the detailed kinetic chemistry (324 species and 17608 reactions) from POLIMI. The detailed numerical model included unsteady gas and liquid transport, soot chemistry and radiative transport. The impact of iso-butanol on the burning rate, flame structure and soot formation are presented. Droplet burn rates were well predicted while flame diameters showed more variability depending on how the flame was defined in the numerical simulation (peak gas temperature and OH concentration). Simulations also show the influence of iso-butanol concentration on flame temperature, greenhouse gas emissions and soot formations.

Guo, Songtao↗

NASA NTRS1980

Response of selected plant and insect species to simulated SRM exhaust mixtures and to exhaust components from SRM fuels

The possible biologic effects of exhaust products from solid rocket motor (SRM) burns associated with the space shuttle are examined. The major components of the exhaust that might have an adverse effect on vegetation, HCl and Al2O3 are studied. Dose response curves for native and cultivated plants and selected insects exposed to simulated exhaust and component chemicals from SRM exhaust are presented. A system for dispensing and monitoring component chemicals of SRM exhaust (HCl and Al2O3) and a system for exposing test plants to simulated SRM exhaust (controlled fuel burns) are described. The effects of HCl, Al2O3, and mixtures of the two on the honeybee, the corn earworm, and the common lacewing and the effects of simulated exhaust on the honeybee are discussed.

Heck, W. W.↗

NASA NTRS1995

On the effect of pressure, oxygen concentration, air flow and gravity on simulated pool fires

The initial development of a fire is characterized by the establishment of a diffusion flame over the surface of a the condensed fuel and is particularly influenced by gravity, with most of the gaseous flow induced by natural convection. Low initial momentum of the fuel vapor, strong buoyant flows induced by the hot post-combustion gases and consequently low values of the Froude number (inertia-gravity forces ratio) are typical of this kind of scenario. An experimental study is conducted by using a porous burner to simulate the burning of a horizontal combustible surface. Ethane is used as fuel and different mixtures of oxygen and nitrogen as oxidizer. The magnitude of the fuel injection velocities is restricted to values that will keep the Froude number on the order of 10-5, when calculated at normal gravity and pressure, which are characteristic of condensed fuel burning. Two different burners are used, a circular burner (62 mm diameter) placed inside a cylindrical chamber (0.3 m diameter and 1.0 m height) and a rectangular burner (50 mm wide by 200 mm long) placed in a wind tunnel (350 mm long) of rectangular cross section (120 mm wide and 90 mm height). The first burner is used to study the effect of pressure and gravity in the absence of a forced flow parallel to the surface. The second burner is used to study the effect of a forced flow parallel to the burner surface as well as the effect of oxygen concentration in the oxidizer flow. In this case experiments are also conducted at different gravity levels (micro-gravity, 0.2 g(sub 0), g(sub 0) and 1.8 g(sub 0)) to quantify the relative importance of buoyancy.

Torero, J. L.↗

DOE OSTI2024

Simultaneous enhancement of tritium burn efficiency and fusion power with low-tritium spin-polarized fuel

This study demonstrates that using spin-polarized deuterium-tritium (D-T) fuel with more deuterium than tritium can increase tritium burn efficiency (TBE) by at least an order of magnitude without compromising fusion power output, compared to unpolarized fuel. Although previous studies show that a low tritium fraction can enhance TBE, this strategy resulted in reduced fusion power density. The surprising improvement in TBE at fixed power reported here is due to the TBE increasing nonlinearly with decreasing tritium fraction but the fusion power density increasing roughly linearly with D-T cross section. A study is performed for an ARC-like tokamak producing 481 MW of fusion power with unpolarized 53:47 D-T fuel, finding the minimum startup tritium inventory (I startup,min ) is 0.69 kg. By spin-polarizing half of the fuel and using a 60:40 D-T mix, I startup,min is reduced to 0.08 kg, and fully spin-polarizing the fuel with a 63:37 D-T mix further reduces I startup,min to 0.03 kg. Some ARC-like scenarios are predicted to achieve plasma ignition with relatively modest spin polarization. These findings indicate that, with advancements in helium divertor pumping efficiency, TBE values of approximately 10%–40% could be achieved using low-tritium-fraction and spin-polarized fuel with minimal power loss. This would dramatically lower tritium startup inventory requirements and reduce the amount of on-site tritium. More generally than just for spin-polarized fuels, increased plasma performance can be used to increase TBE. This strongly motivates the development of spin-polarized fuels and low-tritium-fraction operation for burning plasmas.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2017

Emissions Relationships Among Western Forest Fire Plumes: I. Emission Factors Free from Mixing Errors

Previous studies of emission factors from biomass burning are prone to largeerrors since they ignore the interplay of mixing and varying pre-fire backgroundCO2 levels. Such complications severely affected our studies of 446 forest fireplume samples measured in the Western US by the science teams of NASAsSEAC4RS and ARCTAS airborne missions. Consequently we propose a MixedEffects Regression Emission Technique (MERET) to check techniques like theNormalized Emission Ratio Method (NERM), where use of sequentialobservations cannot disentangle emissions and mixing. We also evaluate asimpler consensus technique. All techniques relate emissions to fuel burnedusing C burn = Δ Ctot added to the fire plume, where ≈ Ctot (CO2 + CO). Mixed-effectsregression can estimate pre-fire background values of Ctot (indexed byobservation j) simultaneously with emissions factors indexed by individual species i, δέλτα-xi (Cburn )i,j., MERET and consensus require more than twoemissions indicators. Our studies excluded samples where exogenous CO orCH4 might have been fed into a fire plume, mimicking emission.We sought to let the data on 13 gases and particulate properties suggest clustersof variables and plume types, using non-negative matrix factorization (NMF).While samples were mixtures, the NMF unmixing suggested purer burn types.Particulate properties (bscat, babs, SSA, AÅE) and gas-phase emissions were interrelated.Finally, we sought a simple categorization useful for modeling ozone productionin plumes. Two kinds of fires produced high ozone: those with large fuel nitrogenas evidenced by remnant CH3CN in the plumes, and also those from veryintense large burns. Fire types with optimal ratios of delta-NOydelta-HCHO associate with the highest additional ozone per unit Cburn, Perhaps theseplumes exhibit limited NOx binding to reactive organics. Perhaps these plumesexhibit limited NOx binding to reactive organics.

plumes↗

NASA NTRS2017

Aerosols at the Poles: An Aerocom Phase II Multi-Model Evaluation

Atmospheric aerosols from anthropogenic and natural sources reach the polar regions through long-range transport and affect the local radiation balance. Such transport is, however, poorly constrained in present-day global climate models, and few multi-model evaluations of polar anthropogenic aerosol radiative forcing exist. Here we compare the aerosol optical depth (AOD) at 550 nm from simulations with 16 global aerosol models from the AeroCom Phase II model intercomparison project with available observations at both poles. We show that the annual mean multi-model median is representative of the observations in Arctic, but that the intermodel spread is large. We also document the geographical distribution and seasonal cycle of the AOD for the individual aerosol species: black carbon (BC) from fossil fuel and biomass burning, sulfate, organic aerosols (OAs), dust, and sea-salt. For a subset of models that represent nitrate and secondary organic aerosols (SOAs), we document the role of these aerosols at high latitudes. The seasonal dependence of natural and anthropogenic aerosols differs with natural aerosols peaking in winter (seasalt) and spring (dust), whereas AOD from anthropogenic aerosols peaks in late spring and summer. The models produce a median annual mean AOD of 0.07 in the Arctic (defined here as north of 60 degrees N). The models also predict a noteworthy aerosol transport to the Antarctic (south of 70 degrees S) with a resulting AOD varying between 0.01 and 0.02. The models have estimated the shortwave anthropogenic radiative forcing contributions to the direct aerosol effect (DAE) associated with BC and OA from fossil fuel and biofuel (FF), sulfate, SOAs, nitrate, and biomass burning from BC and OA emissions combined. The Arctic modelled annual mean DAE is slightly negative (-0.12 W m(exp. -2), dominated by a positive BC FF DAE in spring and a negative sulfate DAE in summer. The Antarctic DAE is governed by BC FF. We perform sensitivity experiments with one of the AeroCom models (GISS modelE) to investigate how regional emissions of BC and sulfate and the lifetime of BC influence the Arctic and Antarctic AOD. A doubling of emissions in eastern Asia results in a 33 percent increase in Arctic AOD of BC. A doubling of the BC lifetime results in a 39 percent increase in Arctic AOD of BC. However, these radical changes still fall within the AeroCom model range.

Sand, Maria↗

DOE OSTI2020

Long-Term Corrosion Studies Of Pine Derived Bio-Oil And Blends With Heavy Fuel Oil

Biomass derived liquid fuels offer a means to reduce greenhouse gas emissions compared to those produced by combustion of petroleum derived liquid fuels. However, the corrosivity of bio-oils toward the less expensive structural materials creates a material selection problem for designers of storage tanks and combustion systems. Samples of candidate structural materials are being exposed for thousands of hours in multiple fast pyrolysis bio-oils and conditions to evaluate the corrosion resistance of these materials. One method to mitigate the corrosivity of bio-oils and speed their adoption, while also decreasing the pollution issues associated with low quality petroleum derived fuels, is to utilize blends of bio-oil and heavy fuel oil in engines currently solely burning a petroleum-based fuel. In addition to the corrosion studies conducted in 100% bio-oil, studies were also conducted with blends of the fast pyrolysis bio-oil produced from pine tree components with a heavy fuel oil that is used in ocean-going ships. This bio-oil had a very high carboxylic acid content which made it very corrosive to carbon and 2¼ Cr-1 Mo steel and even 409 stainless steel. The heavy fuel oil was not corrosive to carbon steel, but its sulfur content makes it a significant pollution producer and particularly undesirable for use near coastlines. Corrosion tests were conducted with the individual components and with various blends of the two liquid fuels. Studies showed a significantly lower corrosivity of the blends than would be projected assuming linear mixing behavior. Adoption of such blends holds the potential to reduce production of sulfur-containing exhaust gases as well as carbon dioxide from non-renewable fuels.

Keiser, Jim↗

DOE OSTI2020

Long-Term Corrosion Studies of Pine Derived Bio-Oil and Blends with Heavy Fuel Oil

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2023

n-Propylbenzene Droplet Combustion: Experiments and Numerical Modeling

n-Propylbenzene (PB, C9H12, 432K boiling point) is important as a constituent in surrogates for some transportation fuels but little is understood about its droplet burning characteristics. We present an experimental and numerical study of a fuel droplet burning under conditions where the sole means of gas transport is fuel evaporation at the droplet surface thereby creating a one-dimensional gas transport that is amenable to detailed numerical modeling. The one-dimensional gas transport that results is amenable to detailed numerical modeling. Initial droplet diameters (Do) ranged from 0.3 mm to about 5 mm to better understand the mechanisms that control burning over such a wide range of Do. For Do < 1 mm droplets were burned while anchored to 14 m SiC fibers within a sealed container in free-fall during which time the droplets were ignited by spark discharge and the burning process recorded by video cameras. Larger and free-floating droplets were studied in the spaced-based platform of the orbiting International Space Station for Do > 1.0 mm which provided unlimited times for experimental observation. Measurements of droplet, flame and soot shell diameters were made and are discussed in the presentation. The experimental results showed formation of optically thick soot clouds developing during burning that required a robust image analysis algorithm to enable measurement of droplet diameter. The measured droplet diameters were well predicted by a numerical model that included soot formation, a PB kinetic mechanism comprising 576 species and 27369 reactions, unsteady gas and liquid transport, variable properties and radiative transport. Flame diameters showed more variability compared to the simulations, depending on how the flame was defined (peak gas temperature and OH concentration). Droplets burned slower as Do was increased and the PB sooting propensity increased with Do. Flame extinction was observed for Do > 3.3 mm indicating a strong effect of radiation as Do was increased compared to the smaller droplet diameters examined where extinction was not experimentally observed. For the largest droplets examined the possibility that the observed extinction is indicative of a transition to cool flame burning is still under investigation.

Guo, Songtao↗

DOE OSTI2024

An Ab initio based OH initiated oxidation kinetics of glycerol carbonate: A promising biofuel component

The global energy demand is steadily increasing because of the population explosion and economic growth. Fossil fuels supply around 85 % of global primary energy demand. On one hand, fulfilling the increasing energy demands is a big challenge for the next few decades. On the other hand, the continued burning of fossil fuels leads to higher CO2 emissions, severely impacting global warming. Therefore, the policymakers vow to shift from conventional fuels to renewable resources for economic, environmental, and future energy security reasons. In this context, biofuels from lignocellulosic biomass and/or carbon-neutral fuels produced in the sustainable carbon cycle can close the carbon cycle and reach net zero-carbon emission. Recently, glycerol carbonate has been proposed as a promising fuel or fuel additive for future sustainability. Therefore, we investigated the hydrogen abstraction reactions of glycerol carbonate (GC) by OH radicals using high-level ab initio and variational transition state theory calculations. We mapped out the potential energy surface using the CCSD(T)/cc-pV(D, T)Z//MP2/cc-pVTZ level of theory. Here we used the ab initio parameters to obtain the site-specific rate coefficients by employing the variational transition state theory. We observed that every hydrogen atom in GC displays a unique reactivity with OH radicals. We derived branching ratio of each channel that are difficult to access experimentally. The overall rate coefficients exhibit a strong non-Arrhenius behaviour, which can be represented as: $k^{CVT/SCT}_{ov}$ (T) = 3.39 x 10 -20 x T 2.659 x e$\frac{-750.0 Jmol^{-1}}{RT}$ $\frac{cm^{3}}{molecule s}$ This is the first reported rate data for the glycerol carbonate and OH radicals reaction.

09 BIOMASS FUELS↗

NASA NTRSDate not supplied

Aircraft Engine Particle Emissions during the 2023 NASA-Boeing ecoDemonstrator Field Measurements

Aerosol aircraft emissions are responsible for the formation of contrail cirrus clouds which can alter Earth’s radiation and water budgets exerting substantial effects on climate. However, at present, the impact of aviation on climate forcing remaining uncertain. Recently, NASA has collaborated with Boeing ecoDemonstrator program to improve the understanding of air traffic emissions and the impact of different jet fuel compositions on contrail microphysics. As part of the program, in October 2023 the NASA DC-8 aircraft was used to sample engine exhausts emitted by a Boeing ecoDemonstrator Explorer 737-10 burning sustainable aviation fuel (SAF) and conventional jet fuel over the north western US. In this study, we present unique observations of aerosols properties relevant for contrail-cirrus cloud formation collected during the 2023 ecoDemonstrator research flights and we will discuss the variations of key microphysical contrail parameters in function of different jet fuel compositions and engine conditions.

Francesca Gallo↗

DOE OSTI2025

Deconsolidation and Leach Burn Leach of Seven As Irradiated AGR 5/6/7 TRISO Fuel Compacts from Capsules 2, 3, 4, and 5

Seven as-irradiated Advanced Gas Reactor (AGR) 5/6/7 compacts underwent destructive post-irradiation examination via deconsolidation-leach-burn leach at Idaho National Laboratory (INL). The selection of the compacts extended the upper and lower limits of time-average volume-average (TAVA) temperature for compacts that had gone through deconsolidation-leach-burn leach so far. The measured inventories of fission products and actinides in the compact matrix and outer pyrolytic carbon were reported. Results indicated unexpectedly higher rates of fuel kernel leaching compared to compacts from AGR-1 and AGR-2. These failure rates were attributed to damage during post-irradiation sample handling, rather than irradiation itself. AGR-5/6/7 compacts have little or no matrix coverage for some particles at the top and bottom ends of cylindrical fuel compacts, making them more fragile. Sixty particles were randomly sampled from each compact, and the gamma results were reported. Three SiC shells from were identified, one of which showed signs of chemical attack in the high-irradiation temperature compact.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1981

Small gas-turbine combustor study - Fuel injector evaluation

As part of a continuing effort at the Lewis Research Center to improve performance, emissions, and reliability of turbine machinery, an investigation was undertaken to determine the effect of fuel injection technique and fuel type on similar improvements for small gas-turbine combustors. Performance and pollutant emission levels are documented over a range of simulated flight conditions for a reverse-flow combustor configuration using simplex pressure-atomizing, spill-flow return, and splash cone airblast injectors. A parametric evaluation of the effect of increased combustor loading with each of the fuel injector types was obtained. Jet A and an experimental referee broad specification fuel were used to determine and compare effects of burning different types of fuels in a small experimental gas turbine combustor.

Norgren, C. T.↗

NASA NTRS1981

Low NO sub x heavy fuel combustor concept program

A gas turbine technology program to improve and optimize the staged rich lean low NOx combustor concept is described. Subscale combustor tests to develop the design information for optimization of the fuel preparation, rich burn, quick air quench, and lean burn steps of the combustion process were run. The program provides information for the design of high pressure full scale gas turbine combustors capable of providing environmentally clean combustion of minimally of minimally processed and synthetic fuels. It is concluded that liquid fuel atomization and mixing, rich zone stoichiometry, rich zone liner cooling, rich zone residence time, and quench zone stoichiometry are important considerations in the design and scale up of the rich lean combustor.

Russell, P.↗

NASA NTRS2017

Results of Large-Scale Spacecraft Flammability Tests

For the first time, a large-scale fire was intentionally set inside a spacecraft while in orbit. Testing in low gravity aboard spacecraft had been limited to samples of modest size: for thin fuels the longest samples burned were around 15 cm in length and thick fuel samples have been even smaller. This is despite the fact that fire is a catastrophic hazard for spaceflight and the spread and growth of a fire, combined with its interactions with the vehicle cannot be expected to scale linearly. While every type of occupied structure on earth has been the subject of full scale fire testing, this had never been attempted in space owing to the complexity, cost, risk and absence of a safe location. Thus, there is a gap in knowledge of fire behavior in spacecraft. The recent utilization of large, unmanned, resupply craft has provided the needed capability: a habitable but unoccupied spacecraft in low earth orbit. One such vehicle was used to study the flame spread over a 94 x 40.6 cm thin charring solid (fiberglasscotton fabric). The sample was an order of magnitude larger than anything studied to date in microgravity and was of sufficient scale that it consumed 1.5 of the available oxygen. The experiment which is called Saffire consisted of two tests, forward or concurrent flame spread (with the direction of flow) and opposed flame spread (against the direction of flow). The average forced air speed was 20 cms. For the concurrent flame spread test, the flame size remained constrained after the ignition transient, which is not the case in 1-g. These results were qualitatively different from those on earth where an upward-spreading flame on a sample of this size accelerates and grows. In addition, a curious effect of the chamber size is noted. Compared to previous microgravity work in smaller tunnels, the flame in the larger tunnel spread more slowly, even for a wider sample. This is attributed to the effect of flow acceleration in the smaller tunnels as a result of hot gas expansion. These results clearly demonstrate the unique features of purely forced flow in microgravity on flame spread, the dependence of flame behavior on the scale of the experiment, and the importance of full-scale testing for spacecraft fire safety.

microgravity↗

NASA NTRS1995

High pressure droplet burning experiments in reduced gravity

A parametric investigation of single droplet gasification regimes is helpful in providing the necessary physical ideas for sub-grid models used in spray combustion numerical prediction codes. A research program has been initiated at the LCSR to explore the vaporization regimes of single and interacting hydrocarbon and liquid oxygen droplets under high pressure conditions. This paper summarizes the status of the LCSR program on the high pressure burning of single fuel droplets; recent results obtained under normal and reduced gravity conditions with suspended droplets are presented. In the work described here, parabolic flights of the CNES Caravelle is used to create a reduced gravity environment of the order of 10(exp -2) g(sub O). For all the droplet burning experiments reported here, the suspended droplet initial diameters are scattered around 1.5 mm; and the ambient air temperature is 300 K. The ambient pressure is varied between 0.1 MPa and 12 MPa. Four fuels are investigated: methanol (Pc = 7.9 MPa), n-heptane (Pc = 2.74 MPa), n-hexane (Pc = 3.01 MPa) and n-octane (Pc = 2.48 MPa).

Chauveau, Christian↗