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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Rapid prediction of fuel research octane number and octane sensitivity using the AFIDA constant-volume combustion chamber

Current research octane number (RON) and motor octane number (MON) gasoline performance characterization techniques use dated, complex engine testing methodology and limit researchers’ ability to easily characterize small volumes of experimental fuels. A novel methodology is presented that correlates measured ignition delay (ID) time to RON in an Advanced Fuel Ignition Delay Analyzer (AFIDA) constant-volume combustion chamber device at a single pressure/temperature condition, with an r2 of 0.99 and standard error (SE) of 1.0. The correlation of the slope of the ID time between two additional temperature points to octane sensitivity (S) produces an r2 of 0.97 and SE of 0.69; however, fuels with S>12 are indistinguishable. These results are based on methodology calibration using 31 primary and toluene reference fuels containing 0%-40% ethanol with RON values ranging from 85 to 113. Validation of these methods using a 102-sample fuel matrix spanning an array of base fuels and additive chemistry designed to test the robust applicability of the method, along with pump gasoline and high-octane surrogate blend samples, demonstrates an r2 of 0.94 and SE of 1.3 for the RON correlation over all samples, whereas the equivalent S correlation produces an r2 of 0.78 and SE of 1.2 by excluding two additives, 3-pentanone and diisobutylene, which displayed poor S correlation results. This novel AFIDA analysis method can be performed in 1 h and with 40 mL of fuel, offering significant improvements in time and volume requirements over traditional techniques.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Thermal Model Heat Rate Predictions of the AGR-5/6/7 Experiment

Several fuel and material irradiation experiments have been planned for the U.S. Department of Energy Advanced Gas Reactor Fuel Development and Qualification Program, which supports the development and qualification of tristructural isotropic (TRISO) coated particle fuel for use in high-temperature gas-cooled reactors. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development of fuel performance models and codes, and provide irradiated fuel and materials for post-irradiation examination and safety testing. Originally planned and named as separate fuel experiments, but subsequently combined into a single test train. AGR-5/6/7 will test low-enriched uranium oxycarbide (UCO – a heterogeneous mixture of uranium oxide and uranium carbide) TRISO fuel. The AGR-5/6 portion of the experiment will provide data to support qualification of the selected reference fuel design, while the AGR-7 portion will serve as a margin test, irradiating the fuel beyond normal operating conditions. During irradiation, the temperature in each capsule is controlled by varying the helium / neon gas mixture flowing through the capsule until the desired thermocouple temperature is reached. Further adjustments can be made by changing the lobe power and the neutron filter. Three neutron filters are available to use as the experiment burns up the fissionable fuel. A thermal finite element model has been created for the five capsules comprising the AGR-5/6/7 experiment. Heat rates from a physics analysis are imported into the model along with fast neutron fluence. Graphite shrinkage due to the fast neutron fluence is incorporated into the model. Gas gaps change as a function of fast neutron fluence. Radiation heat transfer is a major contributor in this model. This is a large model with more than 1 million finite element brick elements. More than 150 different parts are modeled in the finite element model and communicate with each other from a heat transfer sense. More than 50 thermocouples are used in the experiment and are compared to actual measurements. The experiment is composed of five separate stainless steel capsules all welded together. This paper presents a method used to predict the gas mixture in the event that all of the thermocouples fail in a particular capsule. Curve fitting of heat rates from previous cycles and projecting them into the future is the basis of the method.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A new generation of uranium coincidence fast neutron collars for assay of LWR fresh fuel assemblies

The active uranium neutron coincidence collar provides a means of non-destructively assaying the fissile linear density of Light Water Reactor fresh fuel assemblies containing low enriched uranium. These neutron collars can operate in two modes: a thermal and a fast mode. In fast mode, a neutron collar has an added cadmium (Cd) liner in the sample cavity of the detector to reduce the impact of the burnable poison (thermal neutron absorber) on the detector signal (doubles). The main advantage for operating in fast mode is a detected signal that is less dependent of the burnable neutron poison content and thus less dependent on facility operator declarations. The drawback is that operating in fast mode requires a longer measurement time (~hour vs tens of minutes for thermal mode) to achieve the statistically needed precision in the measurements. The trend in the modern reactor fuel assemblies is moving to higher burnup by using higher initial enrichment and, consequently, a higher number of burnable poison rods to compensate the initial neutron reactivity. The increase of the burnable poison loading has motivated the development of a new generation of high efficiency fast neutron collars to allow practical measurements in-field by nuclear inspectors. This paper describes the development and performance evaluation of a new generation of neutron collars, for both boiling water reactor (BWR) and pressurized water reactor (PWR) fuels, jointly developed between the US Department of Energy, through Los Alamos National Laboratory, and the Euratom Safeguards Directorate of the European Commission. In this work, we present here calibrations with reference fuel assemblies at Los Alamos National Laboratory as well as the results of in-field measurement campaigns in fuel fabrication plants with modern commercial fuel assemblies. The experimental results show that a typical PWR verification can be made in a total time of 30 min with an uncertainty in the measured mass of 2% at one standard deviation (1σ). A BWR verification can be made in 47 min with an uncertainty in the measured mass of 1.9% at 1σ, or a total time of 20 min with 1σ uncertainty in the measured mass of 2.5%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

A small-volume, high-throughput approach for surface tension and viscosity measurements of liquid fuels

An ongoing effort looking at bioblendstocks to function as drop-in replacements or blending components for gasoline has identified a large number of candidate fuels. This work documents an approach for rapid screening of candidate fuels using relatively small sample sizes ($\mathcal{O}(\mu\,{\rm l})$) that targets two key physical properties of liquid fuels—surface tension and viscosity. The approach utilizes shape oscillation dynamics of single droplets generated by a piezo-electric device and their decay over time. Strobed imaging of the oscillation process is used along with image processing, edge detection, and data analysis to capture the decay of the oscillation over time. The time constant of the decay process along with oscillation frequency are then used to estimate viscosity and surface tension using a theory for small amplitude droplet oscillations. Measurements are obtained for primary reference fuels (isooctane and n-heptane) as well as candidate fuels from four bio-derived functional groups of interest. Measurement results for surface tension and viscosity are correlated with literature data as well as measurements from standard reference instruments. The measurement results show that the droplet oscillation based approach is capable of reproducing surface tension and viscosity values for the tested fuels within deviations of 7% and 13% respectively from literature data. Results are obtained using an average of 5 µl per fuel within about 20 s, thus demonstrating a small-volume, high-throughput approach that can be used for screening of candidate bioblendstock fuels.

09 BIOMASS FUELS↗
DOE OSTI2021

Gasoline fuels properties for multi-mode operation – Observations in a GDI and the CFR engine

The combustion behavior of five full boiling range RON98 gasoline blends was evaluated for multi-mode operation in a GDI and the CFR octane rating engine. The GDI engine tests were conducted with stoichiometric air-fuel ratio in spark-ignition (SI), and with air-diluted homogeneous charge compression ignition (HCCI) mode. In the CFR engine, the knocking combustion was analyzed under standard RON testing conditions at both peak knocking lambda and stoichiometric air-fuel ratios, whereas compression ignited operation was characterized by utilizing the HCCI number test protocol. Disparate knock limited SI and HCCI combustion behavior was observed for the test fuels, despite four of the fuels having the same RON and octane sensitivity. It was found that knock-limited combustion phasing in the GDI engine did not align well with the RON. However, a detailed comparison of knock-limited SI operation in the GDI and CFR engine revealed that a more appropriate effective RON based on a common knock intensity metric (MAPO) and stoichiometric air-fuel ratio resulted in comparable knock characterization between the two engine platforms. Furthermore, the critical intake air temperature and the critical compression ratio were proposed to characterize knock-limited SI operation, while the minimum intake air heating and compression ratio were used to define a fuel's autoignition propensity for compression ignition operation in the GDI and CFR engine, respectively. Finally, each fuel's characteristic compression ratio needed to obtain knock-limited SI (KLSI) and HCCI operation was used to calculate an effective multi-mode octane number (MM-ON) based on the primary reference fuel blends.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Knock-limited combustion of ethanol-, isobutanol-, and 2-methyl-3-buten-2-ol-gasoline blends in a direct-injected spark-ignition engine

Knock-limited combustion of alcohol-gasoline fuel blends was studied in a direct-injection spark-ignition engine. Ethanol, isobutanol (2-methyl-1-propanol), and methylbutenol (2-methyl-3-buten-2-ol) were splash-blended with a blendstock for oxygenate blending (BOB) gasoline. Ethanol was blended in fractions of 10%, 20%, and 30% by volume (E10, E20, and E30). Isobutanol and methylbutenol were blended to match the oxygen weight percentage of the ethanol blends, resulting in blends of 16%, 32%, and 49% (I16, I32, and I49) isobutanol by volume and 18%, 37%, and 56% (M18, M37, and M56) methylbutenol by volume. Neat BOB and gasoline primary reference fuels (PRF) with octane numbers (ON) of 87 (PRF87) and 100 (PRF100) were included for reference. The engine was operated at fixed speed, equivalence ratio, and injection timing while knock-limited spark advance was located across a range of intake pressures. Low-level alcohol blends E10 and M18 had similar knocking behavior and appeared to be slightly more knock-resistant than I16. For mid-level blends, E20 showed further improvement over I32 while M37 showed noticeably better knock resistance, able to match the knock-resistance of PRF100 for loads above 1000 kPa gross indicated mean effective pressure (GIMEP). For high-level blends, the difference between E30 and I49 was similar to their mid-level counterparts. However, M56 showed significant improvement over E30 and I49 throughout the entire range of loads tested. M56 exceeded the knock-resistance of PRF100 for loads above 700 kPa GIMEP. The improved knock-resistance combined with the increased volumetric energy density of methylbutenol resulted in improved fuel consumption and indicated efficiency. The overall results of this study indicate that the order of knock-resistance of these three alcohols, for direct-injection operation with injection during the intake stroke, is isobutanol < ethanol < methylbutenol when compared on an equal oxygen weight basis.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Feedstock Carbon Intensity Calculator (FD-CIC): Users’ Manual and Technical Documentation

The carbon intensities (CIs) of biofuels are determined with the life cycle analysis (LCA) technique, which accounts for the energy/material uses and emissions during the complete supply chain of biofuel including feedstock production and fuel conversion stages. Regulatory agencies such as California Air Resources Board (CARB) adopts LCA to calculate biofuel CIs. The Low Carbon Fuel Standard (LCFS) program developed by CARB allows individual biofuel conversion facilities to submit their own biofuel CIs with their facility input data and incentivizes the reduction in the CI specific to that particular facility compared to a reference fuel’s CI (Liu et al 2020). Such an incentive program has driven innovations in biorefineries to reduce their greenhouse gas (GHG) emissions by linking their revenue directly to its CI score through LCFS credit trading. Besides the biofuel conversion stage, different farming practices for feedstock growth can result in significant CI variations for feedstocks, thus for biofuels. To provide evidence-based research findings, the U.S. Department of Energy’s Advanced Research Projects Agency–Energy (ARPA-E) has supported the Systems Assessment Center of the Energy Systems and Infrastructure Analysis Division at Argonne National Laboratory to examine CI variations of different farming practices to grow agricultural crops for biofuel production. Meanwhile, the ARPA-E has launched the Systems for Monitoring and Analytics for Renewable Transportation Fuels from Agricultural Resources and Management (SMARTFARM) program to develop technologies and data platforms that enable an accurate measurement of key farming parameters that can help robust accounting of the GHG benefits of sustainable, low-carbon agronomic practices at farm level.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Numerical Study of PAHs and Soot Emissions from Gasoline–Methanol, Gasoline–Ethanol, and Gasoline– n -Butanol Blend Surrogates

Soot formation is an intricate phenomenon, and soot propensity of a fuel is interwoven with the fuel composition, physical and chemical properties, and combustion environment. Here, the present study examines the hypothesis that in addition to the chemical composition of the fuel, the sooting nature of the fuel is closely coupled with its chemical property known as octane sensitivity (S). With this motivation, the present study numerically investigates the effects of gasoline surrogate composition and its property, octane sensitivity (S), on polycyclic aromatic hydrocarbons (PAHs) and soot emissions. Four-component toluene primary reference fuel (TPRF)–alcohol blends, comprising iso-octane, n-heptane, toluene, and one of the three different alcohols- methanol, ethanol, and n-butanol, are used as gasoline surrogates. A total of 320 TPRF–alcohol mixtures, with S in the range of 1–10, are examined under laminar counterflow diffusion flame conditions. A detailed chemical mechanism coupled with a comprehensive soot model, which includes reactions for soot inception, surface growth, PAH condensation, and oxidation, is adopted. The analysis indicates that the toluene content in the fuel mixture has a prominent effect, while the alcohol content and octane sensitivity of the fuel have a weak correlation with the PAHs and soot. Thus, it is not clear if any of these three variables, namely, toluene content in the fuel, alcohol content in the fuel, and S, are individually sufficient to characterize the PAHs and soot across various blends. For this reason, a new variable (X CHO ) based on the elemental composition of the fuel mixture is identified and it is shown that X CHO along with S of the fuel characterize soot emissions satisfactorily. Further, a reaction path analysis indicates that the efficacy of alcohols in reducing soot emissions follows the order: methanol > ethanol > n-butanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Mechanical Property Assessment of Unirradiated Cladding After Exposure to Time at Temperature

Light water reactors in the United States are operated within inherent safety limits designed to account for anticipated operational occurrences (AOOs). Unlike more severe reactor transients, these events permit the potential reuse of reactor cladding, highlighting the nuanced role of thresholds in influencing reactor efficiency compared to design-basis or beyond-design-basis transient conditions. The threshold designated for AOO peak cladding and fuel temperatures are currently grounded around thermal hydraulic limits such as surpassing the critical heat flux (CHF), rather than in fuel-cladding material performance. This CHF criterion therefore represents a conservative approach to AOO transients during the reactor lifetime. Extending this threshold to higher temperatures than CHF can result in additional operation efficiency gains. Here, a material performance-based approach is assessed to better understand the physical material limits of short time scale exposures to elevated temperatures. This approach, termed time at temperature (t@T), references fuel cladding microstructural and mechanical response to rapid temperature transients in absence of radiation damage. The results of this work are expected to help identify margin for the United States reactor fleet, which could be utilized to increase operational efficiencies through decreased reactor outages.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene (C 2 H 2 ), enabling soot-free combustion without the soot-NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde (CH 2 O) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O. However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH*, especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

CFD↗
DOE OSTI2021

Numerical Analysis of Fuel Effects on Advanced Compression Ignition Using a Cooperative Fuel Research Engine Computational Fluid Dynamics Model

Growing environmental concerns and demand for a better fuel economy are driving forces that motivate the research for more advanced engines. Multi-mode combustion strategies have gained attention for their potential to provide high thermal efficiency and low emissions for light-duty applications. These strategies target optimizing the engine performance by correlating different combustion modes to load operating conditions. The extension from boosted spark ignition (SI) mode at high loads to advanced compression ignition (ACI) mode at low loads can be achieved by increasing the compression ratio and utilizing intake air heating. Further, in order to enable an accurate control of intake charge condition for ACI mode and rapid mode-switches, it is essential to gain fundamental insights into the autoignition process. Within the scope of ACI, homogeneous charge compression ignition (HCCI) mode is of significant interest. It is known for its potential benefits, operation at low fuel consumption, low NOx, and particulate matter (PM) emissions. In the present work, a virtual Cooperative Fuel Research (CFR) engine model is used to analyze fuel effects on ACI combustion. In particular, the effect of fuel octane sensitivity (S) (at constant Research Octane Number (RON)) on autoignition propensity is assessed under beyond-RON (BRON) and beyond-MON (BMON) ACI conditions. The three-dimensional CFR engine computational fluid dynamics (CFD) model employs a finite-rate chemistry approach with a multi-zone binning strategy to capture autoignition. Two binary blends with Research Octane Number (RON) of 90 are chosen for this study: primary reference fuel (PRF) with S = 0 and toluene–heptane (TH) blend with S = 10.8, representing paraffinic and aromatic gasoline surrogates. Reduced mechanisms for these blends are generated from a detailed gasoline surrogate kinetic mechanism. Simulation results with the reduced mechanisms are validated against experimental data from an in-house CFR engine, with respect to in-cylinder pressure, heat release rate, and combustion phasing. Thereafter, the sensitivity of combustion behavior to ACI operating condition (BRON versus BMON), air-fuel ratio (λ = 2 and 3), and engine speed (600 and 900 rpm) is analyzed for both fuels. It is shown that the sensitivity of a fuel’s autoignition characteristics to λ and engine speed significantly differs at BRON and BMON conditions. Moreover, this sensitivity is found to vary among fuels, despite the same RON. It is also observed that the presence of low-temperature heat release (LTHR) under BRON condition leads to more sequential autoignition and longer combustion duration than BMON condition. Finally, the study indicates that the octane index (OI) fails to capture the trend in the variation of autoignition propensity with S under the BMON condition.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

DNS of Flame Stabilization Dynamics of a Swirl-Stabilized Spray Burner Using Sustainable Aviation Fuels

Concern for emission reduction has motivated the development of new cost-effective alternative sustainable aviation fuels (SAFs). Drop-in SAFs with blends of the certified and the alternative fuels are beneficial because they do not require engine modifications for use in current aviation engines. Combustion characteristics are of particular concern when comparing a new fuel with Jet-A. Lean blow-off and flame stabilization have been identified to be governed by the fuel propensity to autoignition, i.e. derived cetane number. However, fundamental investigation is required to identify the impact of derived cetane number on the combustion mode of flame stabilization in a realistic combustor. The combustion mode has also a direct impact on turbulent combustion modeling closures. DNS simulations are performed in the low-Mach solver of the Pele Suite called PeleLMeX. Lagrangian multi-phase modeling is used to capture the liquid spray injection of Jet-A (reference fuel) and C1 as a representative of a low cetane number SAF. Adaptive Mesh Refinement (AMR) is used to enable a more efficient simulation of a more realistic domain size and embedded boundary treatment is used to model a bluff-body geometry. Local extinction and edge flame propagation were observed for both fuels. The edge flame propagation mode was quantified in terms of a Damkohler number defined as the ratio between progress variable reaction rate and its diffusive flux. Initial analysis suggests that a mixed mode combustion occurs for the edge flame propagation, with flame propagation assisted by ignition and autoignition co-existing for both Jet-A and C1 flames. The analysis of the extinction region shows a larger progress variable for Jet-A which can further increase the local displacement speed and present a faster reignition of the stoichiometric mixture fraction.

adaptive mesh refinement↗
DOE OSTI2025

Adsorptive denitrogenation of model aviation fuel using mesoporous silica in a packed bed adsorption system

This study aims to understand the effects of system process parameters such as flow rate, adsorbent particle size, and use of recycled adsorbent on denitrogenation performance of a model fuel using mesoporous silica gel. The goal is to reduce the nitrogen content of the model fuel from 1500 parts per million to single-digit ppm to meet ASTM specifications for drop-in fuels. This work was done with the intent of applying adsorptive denitrogenation to sustainable aviation fuel (SAF) product fractions produced via hydrothermal liquefaction (HTL). The adsorption performance of the silica is evaluated via packed column breakthrough data, with data generated from collecting from the column outlet and quantifying nitrogen content via gas chromatography. Select experiments use a significantly larger (2.5x column diameter and length) column to demonstrate linear scalability of the process. Thermogravimetric analysis data is collected to evaluate the effects of thermal calcination as a sorbent regeneration method. Effects of a more complex feed are also investigated using a known reference fuel with additional added nitrogen containing compounds. The results presented in this work successfully demonstrate up to 99.8 % removal of NCCs from a model fuel fraction at an original NCC concentration of approximately 1500 ppm to single-digit parts per million after treatment. We also examine calcination of sorbent materials to remove the adsorbed species to enable sorbent reuse and minimize waste generation and show that the calcined material can be reused up to 5 cycles with reduced adsorption capacity. Overall, this work indicates that adsorptive denitrogenation using silica gel is a viable solution to enable the integration of HTL-derived aviation fuels into existing fuel infrastructure.

Adsorption techniques↗
DOE OSTI2020

Large-eddy simulation study on cycle-to-cycle variation of knocking combustion in a spark-ignition engine

The cycle-to-cycle variation in the knock intensity is commonly encountered under abnormal combustion conditions. The severity of these abnormal combustion events can vary significantly, and the efficiency of engines at high loads is limited in practice by heavy knocking phenomena. Since, a thorough analysis of such recurrent but non-cyclic phenomena via experiments alone becomes highly cumbersome, in the present work, a multi-cycle large-eddy simulation study was performed to quantitatively predict cyclic variability in the combustion process and cyclic knock intensity variability in a direct injection spark-ignition engine. To account for the turbulence-chemistry interaction effects on flame propagation, the G-equation combustion model was used. Detailed chemistry was solved outside the flame front with a toluene primary reference fuel skeletal kinetic mechanism. For both the mild knock and heavy knock conditions, the numerical results were validated against experimental measurements. Based on the simulation results, a correlation analysis was performed considering combustion phasing, peak cylinder pressure and maximum amplitude of pressure oscillation. Furthermore, a detailed three-dimensional spatial analysis illustrated the evolution of auto-ignition kernel development and propagation of pressure waves during knocking combustion for three typical cycles with different knock intensities. In this process, it was found that an early occurrence of auto-ignition in the end gas was prone to high knock intensity. Although multiple auto-ignition kernels were observed in different cycles, the degree of coupling between chemical heat release and pressure waves varied, thereby leading to different maximum amplitude of pressure oscillation values.

42 ENGINEERING↗
DOE OSTI2022

Numerical analysis of soot emissions from gasoline-ethanol and gasoline-butanol blends under gasoline compression ignition conditions

In the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine were performed to investigate the impact of blending two biofuels, ethanol and n-butanol, with gasoline on the trade-off between combustion phasing and soot emissions under low load conditions. Here, in order to represent market gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF) + ethanol (ETPRF) surrogate (with 20% ethanol by mole; E20) was formulated using a neural network based octane predictor such that the surrogate had the same ethanol content, Research Octane Number (RON) and Octane Sensitivity (S). In addition, a novel skeletal kinetic mechanism for ETPRF and TPRF + n-butanol (BTPRF) blends, incorporating polycyclic aromatic hydrocarbon (PAH) chemistry, was developed. A three-dimensional (3D) engine CFD formulation employing the skeletal mechanism, adaptive mesh refinement (AMR), finite-rate chemistry approach, and hybrid method of moments (HMOM) was adopted to capture the in-cylinder combustion phenomena and soot emissions. The engine CFD model was validated against RD5-87 experimental data for a broad range of start-of-injection (SOI) timings (-21/-27/-36/-45 crank angle degrees (CAD) after top-dead center (aTDC)), with respect to in-cylinder pressure, heat release rate, combustion phasing, and soot emissions. The closed-cycle simulation results were analyzed to elucidate the non-monotonic trend of soot emissions versus SOI timing: SOI-36 > SOI-45 > SOI-21 > SOI-27. Thereafter, the validated CFD model was employed to simulate the combustion of a gasoline-ethanol blend with 45% (by mole) ethanol (E45) and a gasoline-butanol blend with 45% (by mole) n-butanol (B45) under the same operating conditions to study the effects of fuel composition and SOI timing on combustion phasing and soot emissions. The sooting propensity followed the trend: B45 > E20 > E45 at all SOI timings. Overall, it was observed that the autoignition propensity was primarily related to fuel chemistry. On the other hand, sooting propensity showed strong coupling with both fuel chemistry and physical properties, with greater impact of fuel physical properties at advanced SOI timings.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Computational study on the impact of gasoline-ethanol blending on autoignition and soot/NO x emissions under low-load gasoline compression ignition conditions

Here, in the present work, computational fluid dynamics (CFD) simulations of a single-cylinder gasoline compression ignition (GCI) engine are performed to investigate the impact of gasoline-ethanol blending on autoignition, nitrogen oxide (NO x ), and soot emissions under low-load conditions. In order to represent the test gasoline (RD5-87), a four-component toluene primary reference fuel (TPRF)+ethanol (ETPRF) surrogate (with 10% ethanol by volume; E10) is employed. A three-dimensional (3D) engine CFD model employing finite-rate chemistry with a skeletal kinetic mechanism (including NO x sub-mechanism), adaptive mesh refinement (AMR), and hybrid method of moments (HMOM) is adopted to capture the in-cylinder combustion phenomena and soot/NO x emissions. The engine CFD model is validated against experimental data for three gasoline-ethanol blends: E10, E30 and E100, with varying ethanol content by volume. Model validation is carried out for a broad range of start-of-injection (SOI) timings (−21, −27, −36, and −45 crank angle degrees (°CA) after top-dead-center (aTDC)) with respect to in-cylinder pressure, heat release rate, combustion phasing, NO x and soot emissions. For relatively later injection timings (−21 and −27 °CA aTDC), E30 yields higher amount of soot than E10; while the trend reverses for early injection cases (−36 and −45 °CA aTDC ). On the other hand, E100 yields the lowest amount of soot among all fuels irrespective of SOI timing. Further, E10 shows a non-monotonic trend in soot emissions with SOI timing: SOI-36>SOI-45>SOI-21>SOI-27, while soot emissions from E30 exhibit monotonic decrease with advancing SOI timing. NO x emissions from various fuels follow a trend of E10>E30>E100. On the other hand, NO x emissions increase as SOI timing is advanced for all fuels, with an anomaly for E10 and E100 where NO x decreases when SOI is advanced beyond −36 °CA aTDC. Detailed analysis of the numerical results is performed to investigate the soot/NO x emission trends and elucidate the impact of chemical composition and physical properties on autoignition and emissions characteristics.

Computational fluid dynamics↗
DOE OSTI2024

Computational Investigation of Fuel Dispersal Phenomena during Large-Break Loss of Coolant Accident in Light-Water Reactors

In the event of cladding rupture, which could occur in light water reactor fuel assemblies during a loss-of-coolant accident (LOCA), fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod. This expulsion of fragmented fuel particles, referred as fuel dispersal, is the subject of investigation to evaluate the safety implications of increasing fuel burnup in light water reactors, with a specific focus on fuel fragmentation, relocation, and dispersal. Particle trajectories and the resulting mass distribution of the settled particles within the reactor pressure vessel can pose a long-term cooling challenge for the reactor core. The fuel dispersal phenomenon is significantly influenced by the ejection characteristics of the fuel fragments, as well as the size and shape of the cladding rupture and fuel rod depressurization history during LOCA transients. In this study, the transport of fuel particles within a scaled 5 × 5 lattice of a pressurized water reactor rod bundle geometry is modeled through a two-fluid Eulerian framework that treats the gas and solid phases as interpenetrating continua. The required boundary conditions are evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considers solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum and energy exchange between the gas and solid phases. The simulation results provide the volume fraction of the solids settled on the bottom surface of the fuel bundle, quantifying the deposition within the bundle geometry.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Safeguards Considerations for Coated Particle Fuel Fabrication Facilities

This study aims to identify where existing fuel fabrication safeguards are limited in application to coated particle fuel fabrication facilities; perform a review of techniques that may be appropriate to address these limitations; and identify where further study is required. The purpose is to ensure the necessary technology and safeguards developments are established to facilitate safeguards-by-design for coated particle fuel fabrication facilities, analogous to the research and development (R&D) efforts in the advanced reactor space, including those requiring coated particle fuels and progress to higher technology readiness levels. Finally, this study will also help meet high priority objectives set forth by the IAEA in establishing safeguards R&D precedence and measurement/procedural standards at emerging fuel fabrication facilities. To achieve these objectives, the report is formatted to (1) distill relevant background information on fuel fabrication of oxide and coated particle fuels; (2) provide an overview of the fuel fabrication techniques for a reference oxide fuel fabrication facility and two selected TRISO fuel fabrication facilities; (3) develop facility models of safeguards approaches for the reference facility and the two TRISO facilities; and (4) identify any observed technology needs or gaps from this analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗