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At least 523 records · Page 29

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DOE OSTI2024

Concentrated solar thermal fuels production by electric field enhanced two step gas splitting (Final Technical Report)

Solar thermochemical CO 2 splitting (STCS) is plagued by high solar field costs due to the extraordinarily high temperatures (~1500 °C) required. In STCS, a reduction/oxidation active material, CeO 2 , is thermally reduced to CeO 2-δ generating O2 at ~1500 °C; then CeO 2-δ is re-oxidized by CO 2 to re-form CeO 2 and CO, a precursor to liquid fuels. Before this project, there were no known methods to decrease the reduction temperature while maintaining high conversion of the CO 2 to CO; thus, projected solar thermal CO costs had stagnated.

10 SYNTHETIC FUELS↗

DOE OSTI2025

Electrocatalytic Oxidation of Ammonia for Energy Conversion and Storage (Final Report)

Ammonia is one of the most promising candidates to be a major renewable fuel. Ammonia is synthesized from H 2 and N 2 , which is the most abundant gas in the Earth’s atmosphere, using the Haber-Bosch (HB) process in the largest scale production of a chemical commodity. Using H 2 generated from renewable resources would result in a scalable, carbon-free, high energy density liquid fuel. The HB reaction is almost thermoneutral, which means hydrogen’s intrinsic energy is largely retained in the ammonia product, making NH 3 possibly the best candidate for storing and transporting H 2 . The conversion of NH 3 to energy has received very little attention, however. As part of this project we demonstrated the first example of a well-defined complex capable of driving electrocatalytic ammonia oxidation to N 2 , protons and electrons. We further thoroughly investigated the mechanistic underpinnings of the electrocatalytic reactions. We have also developed new chemistry to synthesize transition metal complexes aimed at increasing the efficiency and activity of electrocatalysts for the conversion of NH 3 to H 2 and N 2 at ambient temperatures.

08 HYDROGEN↗

DOE OSTI2023

The significance of biomass densification in biological-based biorefineries: A critical review

Replacing fossil fuels with renewable biofuels derived from lignocellulosic biomass is an important aspect of addressing environmental challenges and developing a sustainable industrial society. Densification overcomes the problems of low bulk density and poor flowability of biomass and has been commercialized for producing solid biofuels, but the overall impact of densification on biological-based biorefineries that primarily target liquid fuels (e.g., ethanol) is still under investigation. Herein, this review provides a thorough summary of the application of densified biomass in biological-based biorefineries. First, the effects of densification parameters as well as variables of biomass materials on the densified products’ quality are reviewed, and different commonly used densification technologies are also discussed and compared. Then, the discussion focuses on the physiochemical modifications of biomass caused by densification that may influence further pretreatment and/or enzymatic hydrolysis in biorefineries. Industrial pelleting has been generally shown to exhibit positive/neutral effects on the enzymatic hydrolysis of multiple biomass feedstocks after pretreatments, indicating the viability of using pellets as starting feedstocks in biorefineries. Densification causes structural disruption of biomass, which may facilitate further biochemical conversions. Integrating biomass densification in the feedstock supply chain is feasible for large-scale biorefineries to overcome the techno-economic barriers and become profitable. Suggestions are presented for the efficiency enhancement and cost reduction in densification-based biorefineries. To enable wider applications, it is now the time to employ more demo and full-scale activities in different regions of the world pushing the research and innovation of densification integrated within biorefining.

09 BIOMASS FUELS↗

NASA NTRS1995

Spray combustion stability

The central purpose of this project is the improvement of liquid-fueled rocket motor design technology in order to assist the establishment of economical commercial access to space through the development of engines with enhanced performance and reliability. Specific research effort in the project is focused on spray physics and associated combustion instability phenomena. Results garnered from this work will contribute to the development of new computational tools for design of stable liquid propellant rocket engines. The specific objectives of the research effort include identifying and evaluating physical submodels which pertain to spray combustion stability with the idea of enhancing or refining existing submodels with a more comprehensive approach. In particular, any refinements to the spray combustion physical submodels which are achieved during the project will be channeled back to Rocketdyne for incorporation in their ARICC liquid rocket combustor code as second generation improvements. Also, as the ARICC code forms the basis or future CFD development, some effort is devoted to an evaluation of the code's capability for modeling oscillating pressure waves within the combustor.

Liang, Pak-Yan↗

DOE OSTI2025

Zymomonas mobilis : bringing an ancient human tool into the genomic era

Zymomonas mobilis is an ethanologenic bacterium that has been used for over 1500 years to produce alcoholic beverages. Recently, this microbe has become a top candidate for biofuel production due to its efficient metabolism. Z. mobilis is being developed to utilize lignocellulosic biomass as a feedstock and synthesize a range of valuable chemicals and fuels. Genetic and metabolic engineering strategies are crucial to reach these goals. Recent advances include genome engineering, CRISPR editing, and CRISPRi knockdown of genes. Metabolic engineering has enabled redirection of carbon from the natural product ethanol to chemicals such as 2,3-butanediol and polyhydroxybutyrate. Finally, the approaches summarized here will streamline the development of Z. mobilis as an industrial chassis for sustainable liquid fuels and chemicals.

Boismier, Emma C. [Michigan State Univ., East Lans↗

DOE OSTI2025

Development for Integrated System-Level Analysis Capabilities in SAM for Molten Salt Reactors

In recent years, there has been renewed interest in Molten Salt Reactors (MSRs) for their potential advantages compared to reactors that rely on solid fuel. In response to such interest, many methods and codes have been developed to capture the unique features of MSRs. Among them, the System Analysis Module (SAM) is a modern system analysis tool that provides fast-running, modest-fidelity, whole-plant transient analysis capabilities, essential for fast-turnaround design scoping and engineering analyses of advanced reactor concepts. For liquid-fuel MSRs, the complex physics and chemistry involved in MSR operation—such as reactor kinetics, fluid flow, heat transfer, and salt composition dynamics—pose significant challenges for system-level modeling. Specific modeling capabilities are needed for system-level transient simulation. This paper presents recent advancements in SAM capability enhancements for system-level modeling of MSRs, focusing on improved simulation fidelity, computational efficiency, and multi-physics integration. Key enhancements include the development of species transport, Delayed Neutron Precursor (DNP) drift, modified Point Kinetics Equations (PKE), decay heat modeling, key fission product behavior, salt corrosion, and thermal-hydraulic coupling, as well as code robustness and performance enhancements for MSR applications. The code enhancement allows for better predictive accuracy in safety analysis, transient behavior, and operational optimization, thus supporting the design and licensing of next-generation MSRs. Results from case studies are presented to demonstrate the benefits of these enhancements in accurately capturing key reactor transient behaviors.

Hu, Rui (ORCID:0000000237712920)↗

NASA NTRS2011

Can Water-Injected Turbomachines Provide Cost-Effective Emissions and Maintenance Reductions?

An investigation has been performed to evaluate the effect of water injection on the performance of the Air Force Research Laboratory (AFRL, Wright-Patterson Air Force Base (WPAFB)) experimental trapped vortex combustor (TVC) over a range of fuel-to-air and water-to-fuel ratios. Performance is characterized by combustor exit quantities: temperature and emissions measurements using rakes, and overall pressure drop, from upstream plenum to combustor exit. Combustor visualization is performed using gray-scale and color still photographs and high-frame-rate videos. A parallel investigation evaluated the performance of a computational fluid dynamics (CFD) tool for the prediction of the reacting flow in a liquid fueled combustor (e.g., TVC) that uses water injection for control of pollutant emissions and turbine inlet temperature. Generally, reasonable agreement is found between data and NO(x) computations. Based on a study assessing the feasibility and performance impact of using water injection on a Boeing 747-400 aircraft to reduce NO(x) emissions during takeoff, retrofitting does not appear to be cost effective; however, an operator of a newly designed engine and airframe might be able to save up to 1.0 percent in operating costs. Other challenges of water injection will be discussed.

Hendricks, Robert C.↗

NASA NTRS2007

Status of Superheated Spray and Post Combustor Particulate Modeling for NCC

At supersonic cruise conditions, high fuel temperatures, coupled with low pressures in the combustor, create potential for superheated fuel injection leading to shorter fuel jet break-up time and reduced spray penetration. Another issue particularly important to the supersonic cruise is the aircraft emissions contributing to the climate change in the atmosphere. Needless to say, aircraft emissions in general also contribute to the air pollution in the neighborhood of airports. The objectives of the present efforts are to establish baseline for prediction methods and experimental data for (a) liquid fuel atomization and vaporization at superheated conditions and (b) particle sampling systems and laboratory or engine testing environments, as well as to document current capabilities and identify gaps for future research.

Liu, Nan-Suey↗

NASA NTRSDate not supplied

Validation and Development of a Fast-Running CFD Model for the No-Vent Fill of Liquid Propellant Tank

Cryogenic fluids, while offering higher energy density than storable propellants, present several handling challenges, including gradual boil-off and tank self-pressurization. Transferring these propellants between tanks can be problematic, as the receiving tank's temperature and pressure often lead to flashing and rapid boil-off upon injection. The No-Vent Fill (NVF) technique mitigates these risks by preventing liquid fuel from being expelled overboard. By controlling tank pressure and ensuring appropriate condensation in the ullage region, the NVF process avoids exceeding vent pressure limits. In this study, Loci/STREAM-VOF simulations were compared with data from NASA K-site test runs on a 2.1 cubic meter tank with a bottom orifice under various no-vent fill conditions, including different wall temperatures, flow rates, and inlet liquid temperatures. The effort demonstrated that Loci/STREAM-VOF is capable of quantitatively capturing the important physics of NVF with submerged jets: (1) validation of the liquid-vapor interface turbulence velocity using previous experimental data showed good agreement at different fill levels; (2) validation of the CFD Stanton number for mass transfer provided an adequate mass transfer coefficient range; (3) consistent pressure agreements were found in the pressure history for both cold and warm conditions; and (4) the variations of final pressure with flow rate and inlet liquid temperature were well predicted by the CFD simulation. The application of NVF for low-gravity conditions will be studied in future work.

CFD↗

NASA NTRSDate not supplied

Validation and Development of a Fast-Running CFD Model for the No-Vent Fill of Liquid Propellant Tank

CFD↗

DOE OSTI2022

Droplet Evaporation-Based Approach for Microliter Fuel Property Measurements

Small-volume, high-throughput screening techniques are sought to enable downselection from a large candidate pool of bio-blendstocks to a select few, having physical properties consistent with requirements of downsized, turbo-boosted internal combustion engines. Herein, this work presents a droplet evaporation-based approach to predict heat of vaporization, vapor pressure, diffusion coefficient, and Lennard–Jones parameters for an unknown fuel. Two different schemes, considering the isothermal evaporation of a moving droplet in ambient air, are proposed, which combine droplet velocity and temperature measurements, with some known properties to predict unknown properties. The schemes utilize an inverse solution of a transient model of droplet evaporation solved in an iterative fashion. A baseline scheme, which only requires droplet size change measurements, is evaluated using test data for three liquid fuels, comprising of alkanes and alcohols, as obtained in a temperature-controlled chamber. Results yield temperature-dependent heat of vaporization and vapor pressure predictions within 10 % and 22 %, respectively, of reference values. The advanced scheme, which additionally requires droplet temperature measurement, is numerically evaluated in the current work and will be experimentally validated in future efforts. The advanced scheme is found to significantly improve prediction quality, with deviations less than 2 % and 1 % for heat of vaporization and vapor pressure, while also predicting diffusion coefficient and Lennard–Jones parameters within 5 % and 8 %, respectively. The combined set of approaches, which primarily track droplet evaporation, can be incorporated into a small-volume, high-throughput fuel screening process.

09 BIOMASS FUELS↗

NASA NTRS1989

Spray combustion stability

Liang, Pak-Yan↗

NASA NTRS2003

A Eulerian-Lagrangian Model to Simulate Two-Phase/Particulate Flows

Figure 1 shows a snapshot of liquid fuel spray coming out of an injector nozzle in a realistic gas-turbine combustor. Here the spray atomization was simulated using a stochastic secondary breakup model (Apte et al. 2003a) with point-particle approximation for the droplets. Very close to the injector, it is observed that the spray density is large and the droplets cannot be treated as point-particles. The volume displaced by the liquid in this region is significant and can alter the gas-phase ow and spray evolution. In order to address this issue, one can compute the dense spray regime by an Eulerian-Lagrangian technique using advanced interface tracking/level-set methods (Sussman et al. 1994; Tryggvason et al. 2001; Herrmann 2003). This, however, is computationally intensive and may not be viable in realistic complex configurations. We therefore plan to develop a methodology based on Eulerian-Lagrangian technique which will allow us to capture the essential features of primary atomization using models to capture interactions between the fluid and droplets and which can be directly applied to the standard atomization models used in practice. The numerical scheme for unstructured grids developed by Mahesh et al. (2003) for incompressible flows is modified to take into account the droplet volume fraction. The numerical framework is directly applicable to realistic combustor geometries. Our main objectives in this work are: Develop a numerical formulation based on Eulerian-Lagrangian techniques with models for interaction terms between the fluid and particles to capture the Kelvin- Helmholtz type instabilities observed during primary atomization. Validate this technique for various two-phase and particulate flows. Assess its applicability to capture primary atomization of liquid jets in conjunction with secondary atomization models.

Apte, S. V.↗

DOE OSTI2025

Fabrication and Testing of Solid-Solution Strengthened Corrosion Resistant Alloys For Service in Molten Fluoride Environments

The demand for higher system thermal efficiencies requires the operation of power generation cycles and heat conversion systems at progressively higher temperatures. As the system operating temperature increases, existing materials may not provide adequate mechanical properties or environmental compatibility or both. There is an increasing commercial interest in the development and deployment of liquid-fueled Molten Salt Reactors (MSRs). Hastelloy®N, the highest performing candidate MSR structural alloy, is not capable of operations at temperatures above 700°C, thus limiting the performance of these systems. Using an Integrated Computational Materials Engineering (ICME)-approach and small laboratory scale heats, ORNL developed a class of patented alloys covered by U.S. Patent 9,435,011 B2, “Creep-resistant, Cobalt-free alloys for high temperature, liquid-salt heat exchanger systems,” similar to Hastelloy®N in that they are primarily solid solution strengthened. In contrast to precipitation strengthened alloys, the microstructure of solid solution alloys and hence the high temperature mechanical properties are stable for extended periods of time allowing long reactor operating life. The new alloys have shown to possess good resistance to liquid fluorides at temperatures up to 850°C and have significantly improved creep properties when compared to Hastelloy®N. The purpose of the CRADA project was for ORNL to collaborate with Haynes International- a materials producer, MetalTek International- a foundry, and Kairos Power – an advanced reactor developer – to scale-up selected alloys, evaluate their properties, and identify one solid solution strengthened alloy that can meet the property requirements for the reactor being developed by Kairos Power and other similar liquid fluoride-salt cooled reactors. As part of the project, eight alloys were down-selected and fabricated in larger industrial scale heats by Haynes International. Resistance to molten salt was evaluated in flowing FLiNaK and FLiBe by Kairos Power using their Rotating Cage Loop (RCL) system. Accounting for iron deposition during these tests, the new alloys displayed very low net mass change showing excellent corrosion performance in molten salt. Creep properties evaluated at ORNL were found to be better than that of Hastelloy®N and 316 stainless steel. Long-term stabilities of the alloys evaluated by Haynes International showed that these alloys have excellent thermal stability in the temperature range 704.4-815.6°C, with the change in strength and ductility being less than 10-15% after a 4000-hour exposure at 815.6°C. Autogenously Gas Tungsten Arc Welding (GTAW) welded samples showed less than 10% change in yield strength / ultimate tensile strength / total elongation compared to the basemetal, indicating that the alloys have excellent weldability. Three parts were successfully investment-cast using one alloy with very little voiding showing feasibility of fabricating parts using the casting process. This project enabled extensive interaction between the material producer Haynes International, casting supplier MetalTek, and reactor developer Kairos Power. This facilitated testing of materials and components produced using the newly developed alloys by the end-user. This allowed the generation of critical dataset required for down-selection of a few promising alloys for further development. This data is also currently being shared with other reactor designers for them to evaluate the suitability of this alloy for their reactor design. The availability of this alloy will ultimately enable the design and development and deployment of MSRs with increased temperature of operation and thus, improved efficiencies.

36 MATERIALS SCIENCE↗

NASA NTRS2002

Multi-Zone Liquid Thrust Chamber Performance Code with Domain Decomposition for Parallel Processing

Computational Fluid Dynamics (CFD) has considerably evolved in the last decade. There are many computer programs that can perform computations on viscous internal or external flows with chemical reactions. CFD has become a commonly used tool in the design and analysis of gas turbines, ramjet combustors, turbo-machinery, inlet ducts, rocket engines, jet interaction, missile, and ramjet nozzles. One of the problems of interest to NASA has always been the performance prediction for rocket and air-breathing engines. Due to the complexity of flow in these engines it is necessary to resolve the flowfield into a fine mesh to capture quantities like turbulence and heat transfer. However, calculation on a high-resolution grid is associated with a prohibitively increasing computational time that can downgrade the value of the CFD for practical engineering calculations. The Liquid Thrust Chamber Performance (LTCP) code was developed for NASA/MSFC (Marshall Space Flight Center) to perform liquid rocket engine performance calculations. This code is a 2D/axisymmetric full Navier-Stokes (NS) solver with fully coupled finite rate chemistry and Eulerian treatment of liquid fuel and/or oxidizer droplets. One of the advantages of this code has been the resemblance of its input file to the JANNAF (Joint Army Navy NASA Air Force Interagency Propulsion Committee) standard TDK code, and its automatic grid generation for JANNAF defined combustion chamber wall geometry. These options minimize the learning effort for TDK users, and make the code a good candidate for performing engineering calculations. Although the LTCP code was developed for liquid rocket engines, it is a general-purpose code and has been used for solving many engineering problems. However, the single zone formulation of the LTCP has limited the code to be applicable to problems with complex geometry. Furthermore, the computational time becomes prohibitively large for high-resolution problems with chemistry, two-equation turbulence model, and two-phase flow. To overcome these limitations, the LTCP code is rewritten to include the multi-zone capability with domain decomposition that makes it suitable for parallel processing, i.e., enabling the code to run every zone or sub-domain on a separate processor. This can reduce the run time by a factor of 6 to 8, depending on the problem.

Homayun K. Navaz↗

NASA NTRS2003

Combustion Of Moving Droplets And Of Droplets Suspended Within A Convective Environment: Transient Numerical Results

The problem considered is that of a single-component liquid fuel (n-heptane) droplet undergoing evaporation and combustion in a hot, convective, low pressure, zero-gravity environment of infinite expanse. For a moving droplet, the relative velocity (U(sub infinity)) between the droplet and freestream is subject to change due to the influence of the drag force on the droplet. For a suspended droplet, the relative velocity is kept constant. The governing equations for the gas-phase and the liquid-phase consist of the unsteady, axisymmetric equations of mass, momentum, species (gas-phase only) and energy conservation. Interfacial conservation equations are employed to couple the two phases. Variable properties are used in the gas- and liquid-phase. Multicomponent diffusion in the gas-phase is accounted for by solving the Stefan-Maxwell equations for the species diffusion velocities. A one-step overall reaction is used to model the combustion. The governing equations are discretized using the finite volume and SIMPLEC methods. A colocated grid is adopted. Hyperbolic tangent stretching functions are used to concentrate grid points near the fore and aft lines of symmetry and at the droplet surface in both the gas- and liquid-phase. The discretization equations are solved using the ADI method with the TDMA used on each line of the two alternating directions. Iterations are performed within each time-step until convergence is achieved. The grid spacing, size of the computational domain and time-step were tested to ensure that all solutions are independent of these parameters. A detailed discussion of the numerical model is given.

Gogos, George↗

DOE OSTI2024

Effect of iodides on thermal behavior and phase partitioning in LiCl-KCl

Liquid-fueled molten salt reactors (MSRs) are designed to operate with fissile materials and, ultimately, fission products dissolved in the primary molten salt coolant. Understanding the speciation and transport of iodine—a high-yield fission product—is essential because this element’s accidental release poses significant environmental concerns due to its capacity to be readily absorbed by the human thyroid gland. Here, we report the impact of iodide species (LiI and KI) on phase transitions, phase distribution, and phase stability in LiCl–KCl-eutectic salt mixtures. The study employed a combination of computational and experimental techniques, including thermodynamic FactSage calculations, differential scanning calorimetry, and high-temperature X-ray diffraction. The results indicate that the presence of iodide (10–25 wt%) significantly alters the melting behavior of the LiCl–KCleutectic system. Adding 10 wt% LiI has a more-pronounced effect than 10 wt% KI, as LiI converts to KI, leading to formation of LiCl, thereby, altering the LiCl-KCl ratio which significantly affects the melting temperature of the mixture. Furthermore, the evolution of crystalline structure, solid-fraction composition, and the dynamics of mixed-halide solid–liquid partitioning as a function of temperature indicate the potential for selective iodide separation from chloride-salt mixtures via solid–liquid separation techniques. Overall, the presented findings provide valuable insights that are beneficial for the design and operation of MSRs, as well as for the safe handling and effective processing of used nuclear fuel using advanced pyrochemical techniques.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1992

Excitation of slosh waves associated with low frequency impulsive reverse gravity acceleration of geyser initiation

The objective of the cryogenic fluid management of the spacecraft propulsion system is to develop the technology necessary for acquisition or positioning of liquid and vapor within a tank in reduced gravity to enable liquid outflow or vapor venting. The requirement to settle or to position liquid fuel over the outlet end of the spacecraft propellant tank prior to main engine restart poses a microgravity fluid behavior problem. The purpose of the present study is to investigate the stability of the most efficient technique for propellant resettling through the minimization of propellant usage and weight penalties. In this study slosh wave excitation induced by the resettling flow field activated by 0.1 Hz low frequency, impulsive reverse gravity acceleration, during reorientation with the initiation of geyser for liquid fill levels of 30, 50, 65, 70 and 80 percent, have been studied. Characteristics of slosh waves with various frequencies excited are discussed. Slosh wave excitation shift the fluid mass distribution in the container which impose time dependent variations in spacecraft moment of inertia. This information is important for the spacecraft control during the course of liquid reorientation.

Hung, R. J.↗