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DOE OSTI2025

Deconvoluting sources of variability in aerosol jet printing using light scattering measurements

Aerosol jet printing (AJP) is a digital additive manufacturing technique for hybrid and conformal electronics, where its contactless deposition readily enables patterning over 3D surface topography. However, the complexity of aerosol transport physics makes deposition rate sensitive to process variability, hindering widespread industry adoption. Light scattering measurements have recently been demonstrated as a capable tool for measuring deposition rate in real time, enabling closed-loop control and in-situ qualification frameworks. These inline optical measurements present further opportunity as a diagnostic tool to understand the effects of secondary process parameters affecting vapor–liquid equilibrium and heat and mass transport during deposition. Downstream of the optical measurement cell, changing the sheath gas flow rate, increasing temperature via an inline heater, and adding solvent vapor via a sheath gas bubbler were observed to alter drying physics during sheath-collimation, and thereby impaction efficiency. Further upstream, the introduction of solvent vapor via a carrier gas bubbler and liquid build-up in the printhead were seen to affect the quantitative relationship between the light scattering data and the true deposition rate. Using this information, tightened controls of meaningful secondary parameters were implemented to improve the batch-to-batch consistency for printing a dielectric ink. In addition to advancing AJP process reliability for production, this work demonstrates the capability of inline optical measurements to provide insight into process physics and deconvolute competing mechanisms that underly variability.

additive manufacturing↗

DOE OSTI2021

AGR-5/6/7 Fuel Fabrication Report

The U.S. Department of Energy Office of Nuclear Energy (DOE NE) and the Idaho National Laboratory (INL) Advanced Reactor Technologies (ART) Advanced Gas Reactor (AGR) Fuel Development and Qualification program (referred to as AGR Fuel program hereafter) are pursuing qualification of tristructural isotropic (TRISO) coated particle fuel for use in high temperature gas cooled reactors (HTGRs). The AGR Fuel program was established to provide a fuel qualification data set in support of the licensing and operation of an HTGR. BWX Technologies Nuclear Operations Group (BWXT-NOG) was subcontracted to fabricate the fuel for the AGR program. Several investments and innovations were realized in preparation to fabricate fuel for the AGR-5/6/7 irradiation experiments that brought fuel fabrication fully out of the laboratory and into engineering-scale operations. These included: • Increased the kernel fabrication line capacity and uniformity • Upgraded ancillary support equipment and processes for the tristructural isotropic (TRISO) coating furnace • Demonstrated efficient production of the matrix precursor powder by dry jet milling of co mingled components • Demonstrated an engineering-scale method for quick and efficient overcoating TRISO particles with the matrix precursor • Demonstrated an automated, multi cavity compacting system with a volumetric feed system • Demonstrated a combined-cycle thermal treatment furnace These changes increased production rates of some of these processes by an order of magnitude or more while eliminating the use of flammable solvents, multiple grinding and sorting operations, and the weighing out of individual die charges. Three fuel kernel lots were fabricated for production of the fuel for AGR-5/6/7. The initial lot (J52R-16-39316) was certified to fuel specifications but was not used because the kernels had a high fraction of internal fissures that caused an unacceptable fraction of the kernels to fragment when charged to the coating furnace where the TRISO coating would be deposited. Fragmented kernels increased the dispersed uranium in the particles and produced a worrisome fraction of dimpled particles with an elevated probability of in-pile failure. After some efforts to identify the cause of the fissure formation, two additional lots were produced with much lower fissure fractions, J52R-16-69317 and 69318. The latter kernel lot was a backup to the first and was not needed. Multiple kernel batches were composited to form each of the lots so as to simulate a commercial-scale operation where kernel batches would also be composited. Multiple TRISO coating runs were performed and the product characterized so that several could be composited into a TRISO lot. TRISO lot J52R-16-98005 conformed to all fuel specifications except the mean outer pyrocarbon (OPyC) layer thickness was thinner than specified. Furthermore, it was determined that the TRISO lot had a dispersed uranium fraction (DUF) that might result in the compacts not meeting the DUF specification. A review of the role of the OPyC layer and consequences of the DUF by the Technical Coordination Team and INL concluded that the fuel was acceptable for use in the AGR-5/6/7 irradiation experiment. The TRISO particles were overcoated with the matrix precursor that had been produced in a jet-milling operation. The overcoating was performed in equipment originally designed to coat pharmaceuticals. The overcoating process performed well; producing highly spherical and uniform overcoats requiring little upgrading and no recycle or rework. TRISO particles were overcoated with the matrix precursor to achieve nominal volumetric packing fractions (PFs) of TRISO particles of 25% and 40% for the irradiation experiments. The 40% PF compacts occupy the first and fifth test capsule in the test train while the inner three capsules are loaded with 25% PF compacts. The resinated graphite matrix precursor powder was a derivative of the German A3-27 matrix formulation, which differs from previous AGR irradiation campaigns that used an A3-3 formulation. Jet milling of the matrix powder precursor produced a finer mean graphite particle size than the milling operations used for the A3-3 matrix powder precursor. Changes made in the matrix formula and equipment yielded compacts with significantly higher matrix density than was attained in previous AGR irradiation campaigns. The changes in the matrix formulation and the means of milling the powders also complicated resolution of the three fuel compact defect fractions, DUF, exposed kernel fraction (EKF), and the silicon carbide defect fraction (SDF). Characterization data from BWXT-NOG had some anomalous results, so samples of the fuel compacts and overcoated TRISO particles were also analyzed by Oak Ridge National Laboratory (ORNL) to ensure that the defect fractions were accurately characterized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Sustainable Aviation Fuel (SAF) State-of-Industry Report: State of SAF Production Process

GHG emissions related to commercial air travel were already significant, at 10% of the domestic transportation emissions and 3% of the global greenhouse gas emissions prior to the pandemic, and are expected to double by 2050, even with modest projected growth in air travel. Since Sustainable Aviation Fuel (SAF) is the only way that medium to long haul commercial aviation can be decarbonized, a US government wide "SAF Grand Challenge" was issued to encourage industry to develop capabilities to produce SAF, to reduce cost, improve sustainability, build value chains, and to scale production capabilities (1). The targets are to expand current domestic SAF 2022 production by 200X to 3 billion gallons per year by 2030, and then further by 12X to 35 billion gallons by 2050, while achieving life cycle GHG reduction of 50% relative to fossil Jet A. Following the SAF Grand Challenge, the DOE, USDA, EPA and FAA collaboratively developed a comprehensive strategy, outlined in the "SAF Grand Challenge Roadmap" (2), to inform stakeholders of the actions necessary to achieve the above volumetric targets. The purpose of this study is to provide an assessment of the current state of the SAF production industry and identify challenges and hurdles that industry may face in delivering the 2030 goals. This assessment is for the potential feedstocks and conversion pathways expected to contribute to 2030 goals and will generally follow action areas in the SAF Grand Challenge: feedstocks, conversion technology, supply chain, and policy & valuation.

09 BIOMASS FUELS↗

DOE OSTI2025

Inkless, dry printing nanographene via in-Situ Coordinated laser ablation and sintering processes

Printing carbon, such as graphene and other carbon structures, for flexible and printed electronics currently relies on either ink-based printing, laser-induced forward transfer (LIFT), or laser-induced graphitization (LIG) to convert carbon-rich precursor materials, such as polymers, to graphene-like carbon structures. Liquid inks contain toxic solvents, surfactants, and stabilizing additives that degrade electrical conductivity and require high-temperature post-processing. On the other hand, LIG is limited by the substrate. Here, this study introduces an additive manufacturing method for dry-printing carbon nanomaterials, ranging from amorphous carbon to crystalline graphene-like structures, on various substrates. The system utilizes laser ablation of a solid graphite target to create pure carbon nanoparticles in situ and on demand. An inert gas carries the nanoparticles onto the substrate, where they can be deposited either as amorphous structures or laser-sintered in real time to form various graphitic structures. The study of laser processing parameters, specifically fluence and pulse repetition frequency, revealed three unique regimes of nanostructure evolution that influence the morphological and electrical properties of these printed structures. Raman spectroscopy confirmed graphitization with a resistivity slightly higher than that of the bulk graphite target. The conductivity/resistivity could be tuned as a function of sintering laser power. Scanning transmission electron microscopy (STEM) revealed that turbostratic nanographene formed with an interlayer spacing of 0.40 nm. Despite ink-based printing methods, such as screen printing, inkjet printing (IJP), and aerosol jet printing (AJP), this eco-friendly and green manufacturing technique could eliminate toxic chemicals, reduce environmental impact, and enable single-step fabrication of carbon-based devices for applications in wearable sensors, energy storage, flexible electronics, and Internet of Things (IoT) devices.

Additive nanomanufacturing↗

DOE OSTI2021

Validation and Comparison of HyRAM Physics Models

The Hydrogen Risk Assessment Models (HyRAM) software version 3 uses a real gas equation of state rather than the Abel-Noble equation of state that is used in 2.0 and previous versions. This change enables the use of HyRAM 3 for cryogenic hydrogen flows, whereas the Abel-Noble equation of state is not accurate at low temperatures. HyRAM 3.1 results were compared to experimental data from the literature in order to demonstrate the accuracy of the physics models. HyRAM 3.1 results were also compared to HyRAM 2.0 for high-pressure, non-cryogenic flows to highlight the differences in predictions between the two major versions of HyRAM. Validation data sets are from multiple groups and span the range of HyRAM physics models, including tank blowdown, unignited dispersion jet plume, ignited jet flame, and accumulation and overpressure inside an enclosure. Both versions 2.0 and 3.1 of HyRAM are accurate for predictions of blowdowns, diffusion jets, and diffusion flames of hydrogen at pressures up to 900 bar, and HyRAM 3.1 also shows good agreement with cryogenic hydrogen data. Overall, HyRAM 3.1 improves on the accuracy of the physical models relative to HyRAM 2.0. In most cases, this reduces the conservatism in risk calculations using HyRAM.

08 HYDROGEN↗

DOE OSTI2024

From Feast to Famine: A Systematic Study of Accretion onto Oblique Pulsars with 3D GRMHD Simulations

Disk-fed accretion onto neutron stars can power a wide range of astrophysical sources ranging from X-ray binaries, to accretion-powered millisecond pulsars, ultraluminous X-ray sources, and gamma-ray bursts. A crucial parameter controlling the gas–magnetosphere interaction is the strength of the stellar dipole. In addition, coherent X-ray pulsations in many neutron star systems indicate that the star's dipole moment is oblique relative to its rotation axis. Therefore, it is critical to systematically explore the 2D parameter space of the star's magnetic field strength and obliquity, which is what this work does, for the first time, in the framework of 3D general-relativistic magnetohydrodynamics. If the accretion disk carries its own vertical magnetic field, this introduces an additional factor: the relative polarity of the disk and stellar magnetic fields. We find that depending on the strength of the stellar dipole and the star–disk relative polarity, the neutron star's jet power can either increase or decrease with increasing obliquity. For weak dipole strength (equivalently, high accretion rate), the parallel polarity results in a positive correlation between jet power and obliquity, whereas the antiparallel orientation displays the opposite trend. For stronger dipoles, the relative-polarity effect disappears, and jet power always decreases with increasing obliquity. The influence of the relative polarity gradually disappears as obliquity increases. Highly oblique pulsars tend to have an increased magnetospheric radius, a lower mass accretion rate, and enter the propeller regime at lower magnetic moments than aligned stars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Non-Gaussianity of optical emission lines in SDSS star-forming galaxies and its implications on galactic outflows

The shape of emission lines in the optical spectra of star-forming galaxies reveals the kinematics of the diffuse gaseous component. We analyse the shape of prominent emission lines in a sample of ~ 53000 star-forming galaxies from the Sloan Digital Sky Survey, focusing on departures from gaussianity. Departures from a single gaussian profile allow us to probe the motion of gas and to assess the role of outflows. The sample is divided into groups according to their stellar velocity dispersion and star formation rate (SFR). The spectra within each group are stacked to improve the signal-to-noise ratio of the emission lines, to remove individual signatures, and to enhance the effect of SFR on the shapes of the emission lines. The moments of the emission lines, including kurtosis and skewness, are determined. We find that most of the emission lines in strong star-forming systems unequivocally feature negative kurtosis. This signature is present in Hβ, Hα, [N ii], and [S ii] in massive galaxies with high SFRs. We attribute it as evidence of radial outflows of ionised gas driven by the star formation of the galaxies. Also, most of the emission lines in low-mass systems with high SFRs feature negative skewness, and we interpret it as evidence of dust obscuration in the galactic disk. These signatures are however absent in the [O iii] line, which is believed to trace a different gas component. The observed trend is significantly stronger in face-on galaxies, indicating that star formation drives the outflows along the galactic rotation axis, presumably the path of least resistance. The data suggest that outflows driven by star formation exert accumulated impacts on the interstellar medium, and the outflow signature is more evident in older galaxies as they have experienced a longer total duration of star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Surface Roughness Effects from Additive Manufacturing in High Efficiency Gas Turbine Combustion Systems

In the past, clean combustion systems were characterized by high system development costs due to growing complexity and escalating manufacturing costs from conventional manufacturing processes. As a result, high efficiency concepts are difficult to design and more difficult to be cost-effectively manufactured. In recent years, with the introduction of additive manufacturing (AM) technologies, the rapid prototyping and mass production processes of clean combustion systems are promising to be significantly simplified with significant reduction in terms of engine manufacturing cost and engine energy cost. Compared with conventional manufacturing built parts, the AM process enabled a simpler design to be adopted for the nozzle, reducing the number of required braze and weld joints from twenty-five to just five. The resulting nozzle was 25% lighter and five times more durable and contributed to a 15% reduction in fuel burn in comparison with the previous model produced. Applying these improvements to a fleet of 5,000 turbofan engines at 150 kN thrust would result in fuel cost savings of $ \$ $6B annually (at $ \$ $5/gallon Jet-A fuel price, 700 gallon/hour fuel consumption rate, and 2,300 operational hours per year), and reduce CO2 emissions by more than 25 million tons per year. These advances support core Department of Energy (DOE) missions in energy efficiency, improving productivity, and environmental sustainability. Maximizing the benefit of these new capabilities will require high prediction capability of high speed turbulent flow with wall modeled Large Eddy Simulation (LES). GE Aviation maintains that advanced simulation technology and supercomputing is required in order to provide the appropriate boundary conditions to realize the maximum potential of AM and Ceramic Matrix Composite to reduce cooling flow, a first order penalty on the Brayton cycle. The algorithm developed using the ANSYS/Fluent software would provide the foundation for entirely new avenues of research and development with potential multi-billion dollar impact to the US economy, and significant reduction in carbon based emissions across the aerospace and power generation industries. The formulation of this iWLES (integral wall model for LES) is generic and allows to capture the changes in flow dynamics that have a significant impact on the wall bounded flow characteristics, such as swirler effective area, bulk swirl number, local pressure distribution, exit velocity profile, and turbulence kinetic energy profile. A periodic channel flow with rough flat plate is simulated using LES (Wall-Adapting Local Eddy-viscosity) model to verify the implementation of iWLES in the Fluent User Defined Function (UDF). As the flow fields are highly sensitive due to surface roughness of the wall bounded flows in the combustion systems, there is significant potential to conduct further LES studies focusing on the turbulence boundary layer interaction. Accurately capturing near wall physics will elucidate the impact of rough surfaces on combustor flow and aero-thermal interactions.

42 ENGINEERING↗

DOE OSTI2023

Investigation of thermal hydraulic behavior of the High Temperature Test Facility's lower plenum via large eddy simulation

A high-fidelity computational fluid dynamics (CFD) analysis was performed using the Large Eddy Simulation (LES) model for the lower plenum of the High–Temperature Test Facility (HTTF), a ¼ scale test facility of the modular high temperature gas-cooled reactor (MHTGR) managed by Oregon State University. In most next–generation nuclear reactors, thermal stress due to thermal striping is one of the risks to be curiously considered. This is also true for HTGRs, especially since the exhaust helium gas temperature is high. In order to evaluate these risks and performance, organizations in the United States led by the OECD NEA are conducting a thermal hydraulic code benchmark for HTGR, and the test facility used for this benchmark is HTTF. HTTF can perform experiments in both normal and accident situations and provide high-quality experimental data. However, it is difficult to provide sufficient data for benchmarking through experiments, and there is a problem with the reliability of CFD analysis results based on Reynolds–averaged Navier–Stokes to analyze thermal hydraulic behavior without verification. To solve this problem, high-fidelity 3-D CFD analysis was performed using the LES model for HTTF. It was also verified that the LES model can properly simulate this jet mixing phenomenon via a unit cell test that provides experimental information. As a result of CFD analysis, the lower the dependency of the sub-grid scale model, the closer to the actual analysis result. In the case of unit cell test CFD analysis and HTTF CFD analysis, the volume-averaged sub-grid scale model dependency was calculated to be 13.0% and 9.16%, respectively. As a result of HTTF analysis, quantitative data of the fluid inside the HTTF lower plenum was provided in this paper. As a result of qualitative analysis, the temperature was highest at the center of the lower plenum, while the temperature fluctuation was highest near the edge of the lower plenum wall. The power spectral density of temperature was analyzed via fast Fourier transform (FFT) for specific points on the center and side of the lower plenum. FFT results did not reveal specific frequency-dominant temperature fluctuations in the center part. It was confirmed that the temperature power spectral density (PSD) at the top increased from the center to the wake. The vortex was visualized using the well-known scalar Q-criterion, and as a result, the closer to the outlet duct, the greater the influence of the mainstream, so that the inflow jet vortex was dissipated and mixed at the top of the lower plenum. Additionally, FFT analysis was performed on the support structure near the corner of the lower plenum with large temperature fluctuations, and as a result, it was confirmed that the temperature fluctuation of the flow did not have a significant effect near the corner wall. In addition, the vortices generated from the lower plenum to the outlet duct were identified in this paper. It is considered that the quantitative and qualitative results presented in this paper will serve as reference data for the benchmark.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Noble metal catalysts and processes for reforming of methane and other hydrocarbons

Processes for converting methane and/or other hydrocarbons to synthesis gas (i.e., a gaseous mixture comprising H 2 and CO) are disclosed, in which at least a portion of the hydrocarbon(s) is reacted with CO 2 . At least a second portion of the methane may be reacted with H 2 O (steam), thereby improving overall thermodynamics of the process, in terms of reducing endothermicity (ΔH) and the required energy input, compared to “pure” dry reforming in which no H2O is present. Catalysts for such processes advantageously possess high activity and thereby can achieve significant levels of methane conversion at temperatures below those used conventionally under comparable conditions. These catalysts also exhibit high sulfur tolerance, in addition to reduced rates of carbon (coke) formation, even in the processing (reforming) of heavier (e.g., naphtha boiling-range or jet fuel boiling-range) hydrocarbons. The robustness of the catalyst translates to high operating stability. A representative catalyst comprises 1 wt-% Pt and 1 wt-% Rh as noble metals, on a cerium oxide support.

Marker, Terry L.↗

DOE OSTI2023

Limitations of cetane number to predict transient combustion phenomena in high-pressure fuel sprays

Fundamental understanding of in-cylinder processes in diesel engines is important to screen emerging biofuels and advanced combustion modes that can reduce greenhouse gas emissions and regulated pollutants including soot. In this study, the role of fuel properties on spray development and combustion is investigated by systematically isolating chemical and thermophysical effects. Three different fuels are considered, two with similar chemical properties and two with similar thermophysical properties with one fuel common to both groups. Experiments are performed in a constant-pressure flow chamber de-signed to provide stable test conditions and facilitate acquisition of at least 150 injections in quick succession for each fuel under reacting conditions at high-pressure, high-temperature ambient conditions using a modified conventional diesel engine injector. Further, high speed optical diagnostics including rainbow schlieren deflectometry, OH* chemiluminescence, and a two-color pyrometry system are employed to simultaneously image the transient spray and reacting jets. Image analysis is performed to determine liquid length, vapor penetration length, timing and location of first stage and main ignition events, lift-off location, total soot mass, and more. Results show that fuels with similar chemical properties or cetane number (CN) exhibit similar delay times for first stage and main ignition events as may be expected, but very different liquid length, first stage and main ignition locations, lift-off length, apparent turbulent flame speed, and soot formation. As such, the ability to characterize candidate biofuels with CN or other parameters derived from simple flame configurations is called into question. In this study, thermo-physical properties controlling the liquid length are identified as the main contributing factor for the observed differences.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Predicting Deposition Rate and Closing the Loop on Aerosol Jet Printing with In‐Line Light Scattering Measurements

Aerosol jet printing is a compelling noncontact, digital manufacturing technology for flexible, hybrid, and conformal electronics, but batch‐to‐batch variability and process drift inhibit systematic study and translation to production environments. Emerging measurement techniques for the aerosol volume fraction, a key parameter governing deposition rate, have shown promise for real‐time response, including a recent demonstration of human‐in‐the‐loop control. By integrating improved light scattering measurements with custom software, a robust environment for real‐time monitoring is established and fully automated closed‐loop control over the deposition rate during printing is enabled. The physical basis for scattering measurements as a feedback source is examined and the quantitative insight this provides for ink development and fundamental process studies is highlighted. Three candidate process variables for closed‐loop control, namely the atomizer voltage, carrier gas flow rate, and print speed, are then evaluated. The atomizer voltage demonstrates the best extended duration validity because it addresses atomization variability directly, but carrier gas flow rate and print speed provide faster and more deterministic responses. This methodology is then demonstrated for electrical properties using a silver nanoparticle ink, maintaining 98% of printed patterns within 10% of the mean resistance value over 3 h of printing.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Effects of Part-to-Part Flow Variations on Overall Effectiveness and Life of Rotating Turbine Blades

Abstract As firing temperatures in gas turbine engines continue to increase to achieve high efficiencies, components in the main gas path must be protected with cooling flows to ensure lifing targets are met. Manufacturing variations, however, influence the performance and life characteristics of components with the same nominal design. This study presents blade flow and overall cooling effectiveness measurements for nine true-scale, aero engine turbine blades with realistic manufacturing variations. Flow measurements were made through each blade at a fixed pressure ratio to determine flow variability between holes and between blades. Infrared thermography was used to capture spatially-resolved temperature measurements reported as overall effectiveness on the same nine blades under high-speed rotating conditions at the Steady Thermal Aero Research Turbine Laboratory. Thermal performance was correlated with blade flow performance indicating substantial blade-to-blade variations resulting from manufacturing differences. Measurements also indicated wide variations in cooling jet trajectories as well as overall cooling effectiveness. Finally, the observed blade-to-blade variations in effectiveness were scaled to engine conditions with lifing estimates showing some blades would be expected to last only half as long as others due to manufacturing variability.

Engineering↗

DOE OSTI2022

Galaxy pairs in the Sloan Digital Sky Survey – XV. Properties of ionized outflows

ABSTRACT Powerful outflows are thought to play a critical role in galaxy evolution and black hole growth. We present the first large-scale systematic study of ionized outflows in paired galaxies and post-mergers compared to a robust control sample of isolated galaxies. We isolate the impact of the merger environment to determine if outflow properties depend on merger stage. Our sample contains ∼4000 paired galaxies and ∼250 post-mergers in the local universe (0.02 ≤ z ≤ 0.2) from the Sloan Digital Sky Survey Data Release 7 (SDSS DR 7) matched in stellar mass, redshift, local density of galaxies, and [O iii] λ5007 luminosity to a control sample of isolated galaxies. By fitting the [O iii] λ5007 line, we find ionized outflows in ∼15 per cent of our entire sample. Outflows are much rarer in star-forming galaxies compared to active galactic nuclei (AGNs), and outflow incidence and velocity increase with [O iii] λ5007 luminosity. Outflow incidence is significantly elevated in the optical + mid-infrared selected AGN compared to purely optical AGN; over 60 per cent show outflows at the highest luminosities ($L_{\mathrm{[OIII]~\lambda 5007}}\, \gtrsim$ 1042 erg s−1), suggesting mid-infrared AGN selection favours galaxies with powerful outflows, at least for higher [O iii] λ5007 luminosities. However, we find no statistically significant difference in outflow incidence, velocity, and luminosity in mergers compared to isolated galaxies, and there is no dependence on merger stage. Therefore, while interactions are predicted to drive gas inflows and subsequently trigger nuclear star formation and accretion activity, when the power source of the outflow is controlled for, the merging environment has no further impact on the large-scale ionized outflows as traced by [O iii] λ5007.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Synthetic aromatic kerosene property prediction improvements with isomer specific characterization via GCxGC and vacuum ultraviolet spectroscopy

This research explores an advanced method of fuel composition determination and builds upon typical hydrocarbon group type analyses performed with two-dimensional gas chromatography (GCxGC). In this study, structural information of individual species within Virent’s Synthetic Aromatic Kerosene (SAK) is identified by vacuum ultraviolet (VUV) spectroscopy. By mass, 71.3% of the components elute within six peaks of the chromatogram, from which 12 unique species are identified through a novel deconvolution method. Overall, the identification of 93.6%m across 26 structural isomers is made by the methods described in this work. With 93.6%m ascribed to specific isomers, the precision of fuel property predictions improves dramatically. For example, the absolute error of the viscosity prediction is reduced by 90% because of this advancement in diagnostic capability, and its 95-percentile confidence interval (precision only) is reduced by 93%. Additionally, the properties of SAK, blended with hydro processed esters fatty acids (HEFA), are demonstrated to have blended properties consistent with conventional jet fuel.

10 SYNTHETIC FUELS↗

DOE OSTI2022

Carbon Intensities of Refining Products in Petroleum Refineries with Co-Processed Biofeedstocks

Petroleum refineries increasingly seek to generate fuels with lower carbon intensities (CIs; a measure of life cycle greenhouse gas [GHG] emissions per unit of energy of fuel; well-to-wheel [WTW]) to meet growing demand. Co-processing refers to a process that adds biomass-derived feedstocks to the fossil-based feedstocks of existing petroleum refinery process units. With the use of biofeedstocks, it is expected that co-processed fuels would have lower CIs than their petroleum counterparts without requiring changes in the existing infrastructure for producing, transporting, and using fuels. To quantify the GHG emissions reduction benefits of co-processing, this study uses a linear programming model to simulate petroleum refinery conditions with and without co-processing. The co-processing cases include three biofeedstocks (soy oil, tallow, and used cooking oil or UCO) used as 10 vol.% of the feedstock to a hydrotreater or hydrocracker since these lipid-based feedstocks have favorable properties to be treated in a hydrotreater or hydrocracker. In addition, we considered pyrolysis oil used as 10 vol.% of the feedstock to a fluid catalytic cracking (FCC) unit in the modeled refinery due to its higher oxygen content compared to other lipid-based feedstocks. Life cycle analysis (LCA) using two distinct approaches—process-level energy allocation and a refinery-level marginal approach—has been conducted for each case. The LCA results using process-level allocation show that there are no noticeable changes in emissions or energy use impacts at the facility level. The life cycle GHG emission reductions of co-processing cases are mainly related to the fraction of biogenic carbon embedded in each fuel product. For example, co-processed jet fuels (a mixture of fossil and biogenic fuels) made via hydrotreating or hydrocracking have higher biogenic carbon, which results in jet fuel CI reductions of 3.9%–8.6% compared to the CI of baseline petroleum jet fuels on a WTW basis. However, analysis of co-processed pyrolysis oil in an FCC shows that a higher fraction of biofeedstocks (29%) becomes process emissions (i.e., CO and CO 2 ), mainly due to the oxygenates in pyrolysis oil, and so it generates less renewable fuel than biofeedstocks co-processed via hydrotreating or hydrocracking. Using the refinery-level marginal approach, the changes in energy use and emissions of co-processing cases compared to the petroleum-only baseline case are allocated to the changes in fuel production (assuming renewable fuels). This approach generates the life cycle GHG emission values of co-processed renewable fuels, which are comparable to the CIs of standalone biofuel production pathways. However, as this approach relies on a rough assumption that product yields and emissions from co-processing units on fossil feedstocks remain the same with and without biofeedstock inputs, co-processing cases like FCC pyrolysis oil may generate quite skewed results.

02 PETROLEUM↗

DOE OSTI2023

Printability and Overall Cooling Performance of Additively Manufactured Holes With Inlet and Exit Rounding

Abstract To improve cooling effectiveness of gas turbine hardware, various film cooling hole shapes have previously been researched. Unique design modifications have recently been made possible through the design freedom allotted by additive manufacturing (AM). As one example, creating a rounded inlet for a film-cooling hole can mitigate separation at the inlet. This study explores various geometric features by exploiting the uses of additive manufacturing for shaped film cooling holes at engine scale. Both printability and cooling performance were evaluated. Resulting from this study, additively manufactured holes with hole inlet and exit rounding were printed with some variations from the design intent (DI). The largest deviations from the design intent occurred from dross roughness features located on the leeward side of the hole inlet. The measured overall effectiveness indicated that an as-built inlet fillet decreased in-hole convection as well as decreased jet mixing compared to the as-built sharp inlet. Including an exit fillet, which prevented an overbuilt diffuser exit, was also found to decrease jet mixing. A particular insight gained from this study is the importance of the convective cooling within the hole to the overall cooling performance. In-hole roughness, which is a result of additive manufacturing, increased convective cooling within the holes but also increased jet mixing as the coolant exited the hole. The increased jet mixing caused low overall effectiveness downstream of injection.

Engineering↗

DOE OSTI2021

The Modeling of Synfuel Production Process: ASPEN Model of FT production with electricity demand provided at LWR scale

Synfuels, or electro-fuels (e-fuels) have the unique potential to significantly reduce greenhouse gas (GHG) emissions across the transportation sector. This is especially true for applications with substantial payloads and daily miles traveled, such as long-haul heavy-duty vehicles, rail locomotives, marine vessels and aviation aircrafts that are challenging to directly electrify via battery or fuel cell powertrain technologies. Synfuels, or electro-diesel/electro-jet fuels, have similar properties with the incumbent petroleum fuels, compatible with current infrastructure but have much lower GHG emissions relative to the petroleum counterpart, because they utilize waste carbon dioxide (CO2) streams and green hydrogen (H2) sourced from electrolysis. To achieve substantial reductions in GHG emissions, electricity sources must be zero carbon or near-zero carbon, which is the case with solar, wind, hydro and nuclear power. Compared to the intermittency of solar, wind and hydro, nuclear energy provides a steady energy source. In addition, it’s advantageous for nuclear power to produce synfuels because it provides not only near-zero carbon electricity to displace grid electricity, but also near-zero carbon steam to displace carbon-intensive natural gas combustion for steam generation. The availability of electricity and steam also enables more efficient green hydrogen production by using high-temperature electrolysis. In this work, Argonne National Laboratory (ANL) models a synfuel production process via the Fischer- Tropsch (FT) reaction by using nuclear power to provide electricity and steam. In 2021, using ASPEN Plus software, ANL established a detailed process model of a stand-alone FT production facility, assuming feedstocks of pure CO2 and H2. This stand-alone model can be expanded to integrate H2 production from nuclear power via low-temperature and high-temperature electrolysis at light-water reactor (LWR) scale. This report summarizes the stand-alone ASPEN Plus model results with a detailed mass and energy analysis. Our modeled facility produces 351 MT/day (130,000 gal/day) of FT fuel (a mixture of naphtha, jet fuel, and diesel) by converting 223 MT/day of H2 and 2,387 MT/day of CO2. The FT fuel production energy efficiency is 58% and the carbon conversion efficiency (from CO2 to FT fuel) is 46%. The production of green hydrogen requires 390–470 MWe of electricity, which is compared with the capacity of an LWR plant. For the stand-alone FT process, the detailed energy demand (electricity and heat) is summarized in the table below. Based on the energy supply source and the required temperature, potential insertion points of nuclear energy are identified. Based on the potential nuclear energy utilization, this report discusses potential modification options for expanding the system boundary to integrate nuclear power use, for example on-site hydrogen production via water electrolysis. Modeling of the integrated system is conducted by closely working with ANL and Idaho National Laboratory (INL) collaborators to harmonize design parameters of nuclear plants and the FT production process.

Zang, Guiyan↗