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All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Towards Integrated Pulse Detonation Propulsion and MHD Power

The interest in pulse detonation engines (PDE) arises primarily from the advantages that accrue from the significant combustion pressure rise that is developed in the detonation process. Conventional rocket engines, for example, must obtain all of their compression from the turbopumps, while the PDE provides additional compression in the combustor. Thus PDE's are expected to achieve higher I(sub sp) than conventional rocket engines and to require smaller turbopumps. The increase in I(sub sp) and the decrease in turbopump capacity must be traded off against each other. Additional advantages include the ability to vary thrust level by adjusting the firing rate rather than throttling the flow through injector elements. The common conclusion derived from these aggregated performance attributes is that PDEs should result in engines which are smaller, lower in cost, and lighter in weight than conventional engines. Unfortunately, the analysis of PDEs is highly complex due to their unsteady operation and non-ideal processes. Although the feasibility of the basic PDE concept has been proven in several experimental and theoretical efforts, the implied performance improvements have yet to be convincingly demonstrated. Also, there are certain developmental issues affecting the practical application of pulse detonation propulsion systems which are yet to be fully resolved. Practical detonation combustion engines, for example, require a repetitive cycle of charge induction, mixing, initiation/propagation of the detonation wave, and expulsion/scavenging of the combustion product gases. Clearly, the performance and power density of such a device depends upon the maximum rate at which this cycle can be successfully implemented. In addition, the electrical energy required for direct detonation initiation can be significant, and a means for direct electrical power production is needed to achieve self-sustained engine operation. This work addresses the technological issues associated with PDEs for integrated aerospace propulsion and MHD power. An effort is made to estimate the energy requirements for direct detonation initiation of potential fuel/oxidizer mixtures and to determine the electrical power requirements. This requirement is evaluated in terms of the possibility for MHD power generation using the combustion detonation wave. Small scale laboratory experiments were conducted using stoichiometric mixtures of acetylene and oxygen with an atomized spray of cesium hydroxide dissolved in alcohol as an ionization seed in the active MHD region. Time resolved thrust and MHD power generation measurements were performed. These results show that PDEs yield higher I(sub sp) levels than a comparable rocket engine and that MHD power generation is viable candidate for achieving self-excited engine operation.

Litchford, Ron J.↗
DOE OSTI2023

Numerical modeling of hydrogen mixing in a direct-injection engine fueled with gaseous hydrogen

Hydrogen is considered as one of the most promising options to achieve effective decarbonization of the energy and transportation sectors. As such, it has recently been receiving increasing attention because of its promising potential as an energy carrier for advanced energy and propulsion systems. With a focus on internal combustion engines, direct injection (DI) of gaseous hydrogen during the compression stroke offers great potential for high engine efficiency and specific power while reducing the risk of backfiring and pre-ignition issues. Therefore, many experimental and numerical efforts have recently been dedicated to understanding the physical and chemical behaviors of hydrogen in engine during mixing and combustion. This study focuses on computational fluid dynamics (CFD) modeling of the hydrogen DI process in a hydrogen optical research engine. Under the conditions studied, gaseous hydrogen is injected into the combustion chamber via a centrally located single-hole injector at a pressure of 100 bar. Two configurations, namely low-and high-tumble, are investigated to understand the impact of different in-cylinder flow patterns on the fuel-air mixture preparation. Simulations are carried out using the commercial CFD software CONVERGE. Here, the in-cylinder turbulence is modeled with an unsteady Reynolds-averaged Navier-Stokes (URANS) formulation closed by the renormalization group (RNG) k-ε model. Several numerical methods and model constants, including but not limited to turbulent Schmidt number, are evaluated. The numerical results are systematically compared against experimental measurements of velocity and hydrogen concentration fields on the vertical center plane to assess the performance of the CFD model, unveil the physics of hydrogen mixing, and establish best practices for modeling hydrogen DI under relatively high injection pressure conditions.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRSDate not supplied

Additive Manufacturing for Rocket Propulsion Applications

Metal Additive manufacturing (AM) is changing how components are being fabricated for current and next generation spaceflights. AM provides many advantages including cost and schedule reduction, enhanced complexity for light-weighting, consolidation of parts, and improved performance using novel alloys and improved designs. This presentation will highlight some of the use cases of AM in rocket propulsion applications, the various processes and attributes for proper selection, and the integrated lifecycle for proper AM use. As AM evolves, there is a need to better understand these lifecycle design constraints such as geometry, microstructure and resulting properties, and surface texture for proper implementation. Ongoing research is being conducted on integral channel heat exchangers, such as combustion chambers and nozzles, using some of the AM processes. The presentation will conclude with a focus on this AM heat exchanger research and how it may be applied for future spaceflight.

Additive Manufacturing↗
NASA NTRS1992

Flow enthalpy effects on scramjet mixing and combustion

The present analysis of the 3D characteristics of the mixing processes in a scramjet combustor gives attention to the streamwise, vorticity-driven macromixing, as well as shear-driven small-scale mixing, in both an unconfined Mach 6 airstream and a high-enthalpy (Mach-17) confined, Mach 6 airstream. The results obtained indicate that mixing is substantially lower for the high-enthalpy case. The effect of residence time on jet mixing is discussed in view of the production and decay of the axial vorticity, cross-flow velocities, and mean-flow velocities of these confined flows. The effective distance travelled by a fluid particle in the cross-flow, over the combustor length, is used to explain axial vorticity's contribution to mixing.

Riggins, D. W.↗
NASA NTRS1997

The Kinetic Nonequilibrium Processes in the Internal Flow and in the Plume of Subsonic and Supersonic Aircrafts

(1) Our results show that under combustion of thermal destruction products of n-C8H18, and other hydrocarbon fuels with air at the equivalent ratio -0.5 and less the chemical equilibrium is not realized at the exit plane of combustion chamber and in the gas turbine and nozzle for most of small components such as NO2, NO3, HNO, HNO2, HNO3, N(x)H(y), HO2, OH. The chemical equilibrium is not realized in the internal flow of ramjet hydrogen combustion engine too. So at the nozzle exit plane both of gas-turbine hydrocarbon combustion engine and of ramjet hydrogen combustion engine the relatively large values of concentration of such small components as NO3, HNO2, N2O, HNO3, HNO, NH, N2H, HO2, H2O2 may be realized. The exact definition of these component concentration as well as concentration of NO(x), OH, SO2, O, H, H2, H2O at the nozzle exit plane is very important for plume chemistry. (2) The results which were obtained for subsonic and hypersonic aircrafts indicate on the considerable change of the composition of the gas mixture along the plume. This change can be caused not only by the mixture of combustion products with the atmosphere air but by proceeding of whole complex of nonequilibrium photochemical reactions. The photodissociation processes begin to influence on the formation of the free atoms and radicals at flight altitude H greater than or equal to 18 km. Neglect of these processes can result in essential (up to 10(exp 4) times) mistakes of values gamma(sub OH), gamma(sub O), gamma(sub H), gamma(sub HSO3) and some products of CFC's disintegration. It was found that penetration of Cl-containing species from the atmosphere into the exhaust flow and its interaction with nitrogen oxides leads to essential increasing of the concentration of Cl, Cl2, ClO2, ClNO3, CH3Cl and sometimes HCl and the decreasing of ClO concentration by comparison with background values. The results of our analysis show that the plume aircraft with both hydrocarbon and hydrogen combustion engine may be source of various pollutant components such as HNO, HNO4,ClO2, CH3NO2, CH3NO3, CH2O, Cl, H2O2, but not only NO, NO2, HNO2, HNO3, N2O5, SO2, SO3, H2SO4 as it was supposed before.

Starik, Alexander M.↗
NASA NTRS2001

Combustion of Metals in Reduced-Gravity and Extraterrestrial Environments

As a result of the ongoing exploration of Mars and the several unmanned and possibly manned missions planned for the near future, increased attention has been given to the use of the natural resources of the planet for rocket propellant production and energy generation. Since the atmosphere of Mars consists of approximately 95% carbon dioxide (CO2), this gas is the resource of choice to be employed for these purposes. Since many metals burn vigorously with CO2, these may be used as an energy source or as propellants for a research vehicle on the surface of Mars. Shafirovich and Goldshleger conducted experiments with spherical particles up to 2.5 mm in diameter and found that the burning process was controlled by diffusion and that the particles exhibited pulsating combustion due to superheating of the Mg vapor trapped inside a protective oxide shell. They also proposed a reaction mechanism based on the gas-phase reaction, Mg + CO2 yields MgO + CO and the heterogeneous reaction Mg + CO yields MgO + C occurring on the sample surface. In all the above studies with large Mg particles, the burning process is invariably influenced by strong convective currents that accelerate the combustion reaction and shorten the burning times. Although these currents are nearly absent in the burning of small particles, the high emissivity of the flames, rapid reaction, and small length scales make the gathering of any useful information on burning rates and flame structure very difficult. The goal of this investigation is to provide a detailed study of flame structure by taking advantage of large, free-floating spherical metal samples and their corresponding long burning times available in a weightless environment. The use of reduced gravity is essential to eliminate the intrusive buoyant flows that plague high temperature metal reactions, to remove the destructive effect of gravity on the shape of molten metal samples, and to study the combustion behavior of metals in the presence of solid oxides undisturbed by natural convection. This work presents the most complete modeling of metal particle burning to date for Mg with CO2 and O2.

Branch, M. C.↗
NASA NTRS1999

Transport and Chemical Effects on Concurrent and Opposed-Flow Flame Spread at Microgravity

With support from a previous NASA grant, NAG3-161 1, the PI studied the effects of diluent type, the addition of sub-flammability-limit concentrations of combustible gases, and the effects of concurrent buoyant flow on flame spread processes. The results of these studies are reported and directions for the current grant outlined. Most experiments were conducted in a 20 liter combustion chamber. Exactly the same apparatus was used for 1 g and microgravity tests. The effect of inert gases He, Ar, N2, CO2 and SF6 on flame spread were tested since they provide a variety of radiative properties and oxygen Lewis numbers. CO and CH4 were used for the gaseous fuels in partially-premixed atmosphere tests, plus H2, C3H8 and NH3 for 1 g tests only. In most experiments 5 cm wide Kimwipe samples 15 cm long were used and were held by aluminum quenching plates. The samples were ignited by an electrically-heated Kanthal wire. The flame spread process was imaged via three video cameras and a laser shearing interferometer.

Honda, L. K.↗
NASA NTRS1993

Visualization and imaging methods for flames in microgravity

The visualization and imaging of flames has long been acknowledged as the starting point for learning about and understanding combustion phenomena. It provides an essential overall picture of the time and length scales of processes and guides the application of other diagnostics. It is perhaps even more important in microgravity combustion studies, where it is often the only non-intrusive diagnostic measurement easily implemented. Imaging also aids in the interpretation of single-point measurements, such as temperature, provided by thermocouples, and velocity, by hot-wire anemometers. This paper outlines the efforts of the Microgravity Combustion Diagnostics staff at NASA Lewis Research Center in the area of visualization and imaging of flames, concentrating on methods applicable for reduced-gravity experimentation. Several techniques are under development: intensified array camera imaging, and two-dimensional temperature and species concentrations measurements. A brief summary of results in these areas is presented and future plans mentioned.

Weiland, Karen J.↗
NASA NTRS1997

Analysis of Hydrodynamic (Landau) Instability in Liquid-Propellant Combustion at Normal and Reduced Gravity

The burning of liquid propellants is a fundamental combustion problem that is applicable to various types of propulsion and energetic systems. The deflagration process is often rather complex, with vaporization and pyrolysis occurring at the liquid/gas interface and distributed combustion occurring either in the gas phase or in a spray. Nonetheless, there are realistic limiting cases in which combustion may be approximated by an overall reaction at the liquid/gas interface. In one such limit, the gas flame occurs under near-breakaway conditions, exerting little thermal or hydrodynamic influence on the burning propellant. In another such limit, distributed combustion occurs in an intrusive regime, the reaction zone lying closer to the liquid/gas interface than the length scale of any disturbance of interest. Finally, the liquid propellant may simply undergo exothermic decomposition at the surface without any significant distributed combustion, such as appears to occur in some types of HydroxylAmmonium Nitrate (HAN)-based liquid propellants at low pressures. Such limiting models have recently been formulated,thereby significantly generalizing earlier classical models that were originally introduced to study the hydrodynamic stability of a reactive liquid/gas interface. In all of these investigations, gravity appears explicitly and plays a significant role, along with surface tension, viscosity, and, in the more recent models, certain reaction-rate parameters associated with the pressure and temperature sensitivities of the reaction itself. In particular, these parameters determine the stability of the deflagration with respect to not only classical hydrodynamic disturbances, but also with respect to reactive/diffusive influences as well. Indeed, the inverse Froude number, representing the ratio of buoyant to inertial forces, appears explicitly in all of these models, and consequently, in the dispersion relation that determines the neutral stability boundaries beyond which steady, planar burning is unstable to nonsteady, and/or nonplanar (cellular) modes of burning. These instabilities thus lead to a number of interesting phenomena, such as the sloshing type of waves that have been observed in mixtures of HAN and TriEthanolAmmonium Nitrate (TEAN) with water. Although the Froude number was treated as an O(1) quantity in these studies, the limit of small inverse Froude number corresponding to the microgravity regime is increasingly of interest and can be treated explicitly, leading to various limiting forms of the models, the neutral stability boundaries, and, ultimately, the evolution equations that govern the nonlinear dynamics of the propagating reaction front. In the present work, we formally exploit this limiting parameter regime to compare some of the features of hydrodynamic instability of liquid-propellant combustion at reduced gravity with the same phenomenon at normal gravity.

Margolis, Stephen B.↗
DOE OSTI2021

Process Heat for Chemical Industry

Process heating with nuclear energy can reduce greenhouse gas emissions by reducing combustion of fossil fuels in fired heaters as steam boilers. Light water reactors can replace the majority of steam duties used by industry; however, high temperature processes such as steam methane reforming require advanced high temperature reactors. Here, guidance on matching the scale of nuclear reactors with specific industries is provided. Principles of heat transport, temperature boosting, and substitution for hot combustion gases are also discussed in this section.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Editorial: Particulate Matter Emissions From Conventional and Reformulated Fuel Combustion: Advances in Experiments and Simulations

Particulate matter (PM or soot) emissions generated by combustion of conventional and reformulated fuels adversely impact the environment and human health (Bond et al., 2013; Landrigan et al., 2018; World Health Organization (WHO), 2016), generating public awareness and motivating efforts towards the mitigation of their harmful effects. Soot formation is one of the most complex phenomena in combustion, involving interactions between combustion chemistry, fluid mechanics, mass/heat transport, and particle dynamics, spanning different spatial and temporal scales. A fundamental understanding of soot formation process is thus necessary to achieve a strong reduction of PM emissions and design cleaner and more efficient combustion systems. This has motivated a longstanding and ongoing research activity aimed at improving our understanding of the physical and chemical processes involved in soot formation, well reviewed in these recent works (Wang and Chung, 2019; Michelsen et al., 2020; Martin et al., 2022). Despite the wide interest, the transition from gas-phase molecules to incipient soot particles is still elusive and the successive particle growth and oxidation processes are far from being fully understood, especially in conditions relevant to real-world applications. Recent advances in combustion PM emission diagnostic and computational capabilities helped in improving the predictability of fundamental chemical and aerosol models for practical applications, thus tackling some of the above-mentioned challenges. The aim of this research topic is to display the ongoing research efforts in addressing the existing gaps on particulate formation from various fuel sources and in conditions typical of practical combustion applications (e.g. flames, engines, pool fires), through both experimental and numerical approaches.

42 ENGINEERING↗
NASA NTRS2000

Gas-Phase Influence on Quasisteady "Liquid Flames" in Gravitational Fields

We consider the SHS (self-propagating high-temperature synthesis) process for synthesizing materials. In this process a powder mixture of reactants is cold pressed into a sample, which is ignited at one end. A high temperature combustion wave then propagates through the sample converting reactants to the desired product material. In this process, melting of some or all the components is often observed. Therefore, we study combustion waves propagating through a high caloricity inorganic powder mixture whose combustion temperature exceeds the melting temperatures of many components. The solid matrix is thus destroyed by the propagating combustion wave due to melting ahead of the reaction zone, and a liquid bath is formed which contains gaseous bubbles. The waves propagate in the presence of a gravitational field. Due to the effect of gravity, there is relative motion between the rising bubbles and the descending bath, which affects the composition of the medium, its thermophysical properties, the 'liquid flame' structure, and the propagation velocity. To enhance our understanding of phenomena associated with the interaction of the relative motion with the propagating combustion wave we formulate and analyze a relatively simple mathematical model of liquid flames in a gravitational field. We describe the wave structure and combustion characteristics including the combustion velocity. We compare our results to existing experimental observations and suggest new experiments to be performed. We consider the effects of gravity and, in particular, examine both microgravity and large gravity conditions.

Shkadinsky, K. G.↗
DOE OSTI2025

Systems Analysis of Biomass and Coal Co-firing Power Plants with Deep Carbon Capture Toward Net-zero Emissions

Achieving a net-zero emission economy in the United States requires integrating diverse low-carbon and negative-emission technologies into the existing fossil fuel-dominant power fleet. Potential technologies from the low-carbon portfolio include renewable power, fossil power with carbon capture and storage (CCS), bioenergy with CCS (BECCS), and direct air capture (DAC). Renewable power is a clean energy source but has to pair with costly battery storage to provide dispatchable electricity. Fossil power with CCS offers dispatchable electricity yet still relies on DAC to offset residual emissions, even when deploying deep CCS with more than 90% CO2 capture. Coal-biomass co-firing with CCS, a subset of BECCS, is a reliable energy production technology that can be retrofitted from existing electricity generation units (EGUs). Power plant retrofit maximizes the use of the current U.S. coal power fleet without the need for large-scale deployment of new renewable power, battery storage, or DAC. Retrofitting coal-biomass co-firing with deep CCS in EGUs is a promising option, but not a universal solution. Biomass co-firing at a power plant introduces economic challenges and indirectly poses pressure on land and water resources. Meanwhile, retrofitting deep CCS affects plant efficiency and raises electricity generation costs. Overall, the technical feasibility and economic viability of plant retrofits vary across EGUs, as they are contingent upon the regional availability of biomass, unit-specific characteristics, site-specific fuel supply costs, and adjacent CO2 storage potential. Government incentives like 45Q can improve the retrofit viability, though the impact requires further quantification. A comprehensive analysis at the unit level is essential to address the question regarding the fate of the U.S. coal-fired electricity generation fleet toward the net-zero emission goal. This study conducts a systematic techno-economic-environmental assessment of EGUs to identify the viability of biomass co-firing and deep CCS retrofits in the U.S. coal-fired power fleet. Specifically, it characterizes the techno-economic performance of deep carbon capture, estimates life cycle greenhouse gas (GHG) emissions, and conducts a fleet-level assessment on retrofit viability. The key objectives are (1) to estimate the unit-specific performance and retrofitted cost under various biomass co-firing levels and CO2 capture rates; (2) to determine the possibility of reaching net-zero emission at the fleet level; (3) to quantify the cumulative capacities that are suitable for plant retrofits under current and future biomass supply scenarios; and (4) to improve the understanding of policy impacts on such retrofits to help the power sector’s transition to a net-zero economy. Techno-economic Model of Deep Carbon Capture. This study develops the performance and economic models for Monoethanolamine-based post-combustion CO2 capture at 95–99% capture rates. The process is simulated in Aspen Plus, analyzing the performance of carbon capture technology by varying the plant sizes, solvent lean loading, CO2 concentrations, and flue gas inlet temperature. Based on the key inputs and output parameters of CO2 capture, a reduced-order performance model of deep carbon capture is formulated. In addition, an engineering-economic model integrating the performance metrics is developed to estimate the capital as well as operation and maintenance (O&M) costs. Capital cost estimations follow the framework of the Integrated Environmental Control Model (IECM) and incorporate data regressions from three technical reports by IECM, the National Energy Technology Laboratory (NETL), and the National Renewable Energy Laboratory. The O&M cost estimation utilizes the actual inventory consumption rate and labor requirements. Both performance and cost models are embedded into IECM v13.0-beta, a fossil-fuel power plant modeling tool. Life Cycle Assessment of Power Plants. This study estimates the GHG emissions of power plants through life cycle assessment (LCA). The LCA scope includes fuel supply, combustion-based power generation, and CO2 transport and storage. The fuel-based life cycle module is designed following the framework of the NETL Unit Process Library and CO2U LCA Guidance Toolkit. The module is then incorporated into IECM v13.0-beta. The process-based LCA is applied to estimate the GHG emissions of coal and biomass supply, coal- and coal-biomass co-firing power plant operation, as well as CO2 pipeline transport and geographical sequestration. An uncertainty analysis is conducted to quantify the variability and uncertainty associated with the LCA using the Latin Hypercube Sampling (LHS) method. Fleet-level Assessment. This study evaluates the technical and economic feasibility of selected coal-fired EGUs, examines the role of tax credits in retrofit viability, and assesses the competitiveness of retrofitted units against other low-carbon options. Unit screening identifies EGUs for the study, focusing on new, efficient baseload units with air pollution controls. The power plant databases are then established to organize unit-specific information on performance and operating conditions from the relevant public databases. Biomass for co-firing retrofits is selected based on home and neighboring county availability, ensuring sustained operation with at least a 5% co-firing level. The CO2 storage site is determined by state-level storage potential, with ArcGIS Pro and NETL CO2 Saline Storage Cost Model used to identify the optimal balance between the nearest transport distances and affordable storage costs. The latest IECM v13.0-beta is then employed to configure and evaluate the eligible EGUs with or without the deployment of deep CCS and biomass co-firing. A supply curve is established to illustrate the cumulative installed capacity suitable for retrofits at different cost levels. A sensitivity analysis on tax credits for carbon sequestration is performed. Finally, a unit-level cost comparison is conducted among retrofitted plants, renewable power with battery storage, and abated fossil fuels with DAC. Expected Results. This study evaluates the technical, economic, and environmental metrics of each EGU across an array of CO2 capture rates and biomass co-firing level scenarios. Unit-level comparisons will identify critical factors influencing technical performance. The supply curves with and without tax incentives will provide insights into the impact of tax credits on biomass co-firing and CCS deployment. The cost comparisons with renewables and DAC-retrofit will assess the competitiveness of the retrofitted units. Life cycle emissions from each unit will be assessed to identify the scenarios under which net-zero emissions can be achieved. These analyses are expected to determine the total coal-fired capacity suitable for serving as a low-carbon energy source with or without tax incentives. The study results are novel in identifying optimal unit-specific strategies for producing carbon-neutral power, whether through retrofitting EGUs with deep CCS, biomass co-firing, DAC, or installing renewable power with battery. The findings will provide insight into nationwide efforts to ensure reliable, affordable, and low-carbon electricity. It also will inform investment decisions and policies in the deployment of deep carbon capture and negative emission technologies for a net-zero energy future.

Biomass Co-firing↗
NASA NTRS1984

The influence of combustion liner holes on noise production by ducted burners

The thermoacoustic energy conversion process in a turbulent flame is not yet sufficiently well understood to allow accurate prediction of the sound pressure field of even the simplest of laboratory burners. The present contribution is intended to be a step toward fuller understanding of this process. In particular, the possibility is explored that the source structure, in the form of the thermoacoustic efficiency spectrum, might be influenced by the acoustic response of the burner itself. Experimental results are presented which seem to establish that, at least for the gas-fueled laboratory burner studied, source activity is not affected by the addition of downstream combustion liner holes which otherwise alter the acoustic response of the burner.

Mahan, J. R.↗
NASA NTRS1927

High-speed Oil Engines for Vehicles. Part II

Further progress toward the satisfactory solution of the difficult problem of the distribution and atomization of the injected fuel was made by extensive experimentation with various fuel valves, nozzles, and atomizing devices. Valuable information was also obtained through numerous experimental researches on the combustion of oils and the manner of introducing the combustion air into the cylinder, as well as on the physical processes of atomization, the determination of the size of drops, etc. These researches led to the conclusion that it is possible, even without producing great turbulence in the combustion chamber and at moderate pump pressure, if the degree of atomization and the penetrative power of the fuel jet are adapted to the shape of the combustion chamber and to the dimensions of the cylinder.

ENGINES, OIL↗
DOE OSTI2023

Method for designing a combustion system with reduced environmentally-harmful emissions

A method for designing a combustion system which emits less of at least one environmentally-harmful emission is presented. In a describing step, an injector which introduces a fuel into a combustion chamber is described via a CFD code. In a modeling step, combustion kinetics of the fuel are modeled via a pre-processing code as the fuel mixes and reacts with an oxidizer. In a first selecting step, at least one primary scalar is derived during the modeling of the combustion kinetics. In a performing step, a table look-up is performed to obtain at least one data from a look-up database based on the primary scalar. In a second selecting step, at least one secondary scalar is selected in addition to the primary scalar(s). In a specifying step, at least one chemical pathway of formation or destruction for the secondary scalar is specified via a chemistry manager wherein the secondary scalar is representative of the environmentally-harmful emission(s) of the chemical pathway(s). In a utilizing step, the data is utilized to evaluate the chemical pathway(s) to quantify the environmentally-harmful emission(s). In an identifying step, an improvement to the combustion system is identified which reduces the environmentally-harmful emission(s).

Zambon, Andrea C.↗
DOE OSTI2025

Investigation of heat pump technologies for high-temperature applications above 250 °C

This paper examines heat pump (HP) technologies to achieve heat supply temperatures above 250 °C, referred to as ultra-high-temperature heat pump (UHTHP). UHTHP, as a low-carbon heat delivery and heat augmentation technology, can offer an alternative to traditional combustion heating for decarbonizing high-temperature industrial processes. However, the heat supply temperature of over 250 °C surpasses the temperature range typically covered in the high-temperature HP literature and existing capabilities of commercial HP systems. This paper reviews HP technologies with the potential to evolve into UHTHP. Additionally, UHTHP studies in the literature are analyzed to compare the pros, cons, and technical potentials of various HPs using different thermodynamic cycles and fluids. Furthermore, we then pinpoint the technical gaps and challenges that have hindered widespread adoption of UHTHP in industry, explore potential improvements and solutions, and discuss the feasibility. Current efforts aim to lay the ground for future research, development, and commercial deployment for UHTHP.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗
DOE OSTI2026

Rate constants and third-body collision efficiencies for recombination of Na with OH and O2: Implications for flame inhibition by alkali salts

Flame inhibition by alkali metals has implications for solid fuel combustion, fire safety, and a number of industrial processes. While the mechanism of inhibition is fairly well understood, details related to thermodynamic properties and rate constants are still in question. In the present work, the recombination of Na with OH (R5) and O2 (R7), respectively, was characterized theoretically, and the implications for modeling laminar premixed hydrogen flames doped with sodium species were examined. Third-body collision efficiencies and low-pressure-limit rate constants were obtained using newly fitted ab initio-based potential energy surfaces, classical trajectories, and one-dimensional master equation calculations. The results are consistent with available experimental results and aid in the present modeling study by providing rate information for bath gases and conditions that remain unexplored experimentally. Chemical kinetic modeling of relative Na and absolute H and OH profiles in H2-fueled laminar, premixed flames doped with a sodium salt shows that the most important radical removal cycle is the sequence Na + OH (+M) → NaOH (+M) (R5), NaOH + H → Na + H2O (R12), even under oxidizing conditions. A secondary cycle, Na + O2 (+M) ⇄ NaO2 (+M) (R7), NaO2 + OH → NaOH + O2 (R14), is less important due to the low thermal stability of NaO2. In most flames, reaction R7 is partially equilibrated, and reaction R14 becomes rate-limiting for the second cycle. The flame analysis supports a lower value of k14 than indicated by recent work on KO2 + OH, but more work is required to confirm this.

Jasper, Ahren W.↗