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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Comparative Soot Diagnostics: 1 Year Report

The motivation for the Comparative Soot Diagnostics (CSD) experiment lies in the broad practical importance of understanding combustion generated particulate. Depending upon the circumstances, particulate matter can affect the durability and performance of combustion equipment, can be a pollutant, can be used to detect fires and, in the form of soot, can be the dominant source of radiant energy from flames. Bright sooty fires are desirable for efficient energy extraction in furnaces and power equipment. In contrast, soot-enhanced radiation is undesirable in many propulsion systems (e.g. jet engines). The non-buoyant structure of most flames of practical interest (turbulent) makes understanding of soot processes in low gravity flames important to our ability to predict fire behavior on earth. These studies also have direct applications to fire safety in human-crew spacecraft, since smoke is the indicator used for automated detection in current spacecraft. In addition, recent tests conducted on MIR showed that a candle in a truly quiescent spacecraft environment can burn for tens of minutes. Consequently, this test and many earlier tests have demonstrated that fires in spacecraft can be considered a credible risk. In anticipation of this risk, NASA has included fire detectors on Skylab, smoke detectors on the Space Shuttle (STS), and smoke detectors in the design for the International Space Station (ISS). In the CSD experiment, these smoke detectors were tested using, quasi-steady, low-gravity, particulate generating materials. Samples of the particulate were also obtained from these low-gravity sources. This experiment provides the first such measurements aimed toward understanding of soot processes here on earth and for the testing and design of advanced spacecraft smoke detection systems. This paper describes the operation and preliminary results of the CSD experiment which was was conducted in the Middeck Glovebox Facility (MGBX) on USMP-3. The objectives of CSD are to examine the particulate emission from a variety of pyrolyzing and combusting sources and to quantify the performance of several particulate-sensing diagnostic techniques. This paper presents the results of the microgravity portion of the CSD experiment. The results include the temporal response of the detectors and average sizes of the primary and aggregate particles captured on the thermophoretic probes. Complete assessment of the microgravity data and its combination with the normal-gravity data are still in process.

Urban, David L.↗
NASA NTRSDate not supplied

Space Suit Portable Life Support System Oxygen Regulator History, Development, & Testing Results

An oxygen regulator has been in development for the space suit Exploration Extravehicular Mobility Unit (xEMU) Portable Life Support System (PLSS). The regulator provides the necessary oxygen pressure for the crew member during pre-breathe, extra-vehicular activity (EVA), post EVA airlock operations, and decompression sickness treatment. The last time a spacesuit oxygen regulator was designed was for the Space Shuttle Program EMU. The regulator & EMU were then used on the International Space Station (ISS) with no significant changes to the regulator throughout its life. This xEMU PLSS spacesuit oxygen regulator implements many elements of the previous EMU Secondary Oxygen Pack (SOP) design while integrating numerous new improvements and changes. There are changes both to the high-level regulator architecture approach in the suit itself, in addition to modernizations with electrical motor control & sensing. For architecture, there are two oxygen regulators for each space suit, a primary and secondary that are nearly identical to each other and have the same maximum design pressure of 3750 Pounds per Square Inch Absolute (PSIA). The primary regulator provides nominal pressure during EVA, while the secondary provides a backup pressure only in case of primary regulator failure or if an emergency purge of the suit oxygen is required. The design was based originally off of the secondary oxygen regulator on the EMU which utilizes a two-stage regulator to improve safety and controllability. The xEMU PLSS Oxygen Regulator development started with a modification to add a linear actuator to the design to control the downstream pressure electronically instead of a manual control with a wire linkage system used with the EMU. The design was iterated to include a Monel body for oxygen fire safety, and sensors for pressure verification at each stage. Then the regulator design was packaged to fit into the xEMU PLSS envelope. Development included extensive testing which brought to light some issues with the design which were addressed at each stage of development. This paper will review the design history, development, testing results, and lessons learned designing the xEMU PLSS Oxygen Regulator.

Ryan Ogilvie↗
NASA NTRS2001

Experiments Developed to Study Microgravity Smoldering Combustion

The overall objective of the Microgravity Smoldering Combustion (MSC) research program is to understand and predict smoldering combustion under normal and microgravity (near-zero-gravity) conditions to help prevent and control smolder-originated fires, in both environments. Smoldering is defined as a nonflaming, self-sustaining, propagating, exothermic surface reaction. If a material is sufficiently permeable, smoldering is not confined to its outer surface, but can propagate as a reaction wave through the interior of the material. The MSC program will accomplish its goals by conducting smolder experiments on the ground and in a space-based laboratory, and developing theoretical models of the process. Space-based experiments are necessary because smoldering is a very slow process and, consequently, its study in a microgravity environment requires extended periods of time that can only be achieved in space. Smoldering can occur in a variety of processes ranging from the smolder of porous insulating materials to underground coal combustion. Many materials can sustain smoldering, including wood, cloth, foams, tobacco, other dry organic materials, and charcoal. The ignition, propagation, transition to flaming, and extinction of the smolder reaction are controlled by complex, thermochemical mechanisms that are not well understood. As with many forms of combustion, gravity affects the availability of the oxidizer and the transport of heat, and therefore, the rate of combustion. The smoldering combustion of porous materials has been studied both experimentally and theoretically, usually in the context of fire safety. Smoldering encompasses a number of fundamental processes, including heat and mass transfer in a porous media; endothermic pyrolysis of combustible material; ignition, propagation, and extinction of heterogeneous exothermic reactions at the solid-gas pore interface; and the onset of gas phase reactions (flaming) from existing surface reactions. Smoldering presents a serious fire risk because the combustion can propagate slowly in a material's interior and go undetected for long periods of time. It typically yields a substantially higher conversion of fuel to toxic compounds than does flaming (though more slowly), and may undergo a sudden transition to flaming.

Vergilii, Franklin↗
NASA NTRS2003

Fan Beam Emission Tomography for Laminar Fires

Obtaining information on the instantaneous structure of turbulent and transient flames is important in a wide variety of applications such as fire safety, pollution reduction, flame spread studies, and model validation. Durao et al. has reviewed the different methods of obtaining structure information in reacting flows. These include Tunable Laser Absorption Spectroscopy, Fourier Transform Infrared Spectroscopy, and Emission Spectroscopy to mention a few. Most flames emit significant radiation signatures that are used in various applications such as fire detection, light-off detection, flame diagnostics, etc. Radiation signatures can be utilized to maximum advantage for determining structural information in turbulent flows. Emission spectroscopy is most advantageous in the infrared regions of the spectra, principally because these emission lines arise from transitions in the fundamental bands of stable species such as CO2 and H2O. Based on the above, the objective of this work was to develop a fan beam emission tomography system to obtain the local scalar properties such as temperature and mole fractions of major gas species from path integrated multi-wavelength infrared radiation measurements.

Sivathanu, Yudaya↗
NASA NTRS1979

Thermal performance modification of composite materials

This paper reports on an investigation of the concept of modifying the thermal performance of filled polymers through a minor compositional change (presently by coating the filler). The fire-safety of construction materials and the instability of solid rockets are used as examples. A theory is developed which shows that vast improvements are possible by controlling thermal conductivity. Experiments are described that show the weight loss and smoke density in the NBS smoke-density chamber of fiberglass-reinforced epoxy panels, and the instability trends of an AP-HTPB propellant fired in an L-Star rocket motor. The feasibility of tailoring thermal behavior to suit each particular need is demonstrated.

Ramohalli, K.↗
NASA NTRS1979

Non-flammable polyimide materials for aircraft and spacecraft applications

Recent developments in polyimide chemistry show promise for producing materials with very low flammability and a wide range of mechanical properties. Polyimide foams can be synthesized to provide fire safety without detectable formation of smoke or toxic byproducts below 204 C (400 F), thus avoiding an environment which is lethal to human habitation. This work has been and is currently being performed under development programs, the objective of which is to provide cost effective processes for producing thermally stable, polyimide flexible resilient foams, thermal-acoustical insulating materials, rigid low density foam panels, and high strength foam structures. The chemical and physical properties demonstrated by these materials represent a technological advancement in the art of thermally stable polyimide polymers which are expected to insure fire protection of structures and components used in air transportation and space exploration. Data compiled to date on thermal, physical and functional properties of these materials are presented.

Gagliani, J.↗
NASA NTRS1989

Microgravity combustion science: A program overview

The promise of microgravity combustion research is introduced by way of a brief survey of results, the available set of reduced gravity facilities, and plans for experimental capabilities in the Space Station era. The study of fundamental combustion processes in a microgravity environment is a relatively new scientific endeavor. A few simple, precursor experiments were conducted in the early 1970's. Today the advent of the U.S. space shuttle and the anticipation of the Space Station Freedom provide for scientists and engineers a special opportunity, in the form of long duration microgravity laboratories, and need, in the form of spacecraft fire safety and a variety of terrestrial applications, to pursue fresh insight into the basic physics of combustion. The microgravity environment enables a new range of experiments to be performed since buoyancy-induced flows are nearly eliminated, normally obscured forces and flows may be isolated, gravitational settling or sedimentation is nearly eliminated, and larger time or length scales in experiments become permissible. The range of experiments completed to date was not broad, but is growing. Unexpected phenomena have been observed often in microgravity combustion experiments, raising questions about the degree of accuracy and completion of our classical understanding and our ability to estimate spacecraft fire hazards. Because of the field's relative immaturity, instrumentation has been restricted primarily to high-speed photography. To better explain these findings, more sophisticated diagnostic instrumentation, similar to that evolving in terrestrial laboratories, is being developed for use on Space Station Freedom and, along the way, in existing microgravity facilities.

Source record↗
NASA NTRS2004

Combustion Module-2 Achieved Scientific Success on Shuttle Mission STS-107

The familiar teardrop shape of a candle is caused by hot, spent air rising and cool fresh air flowing behind it. This type of airflow obscures many of the fundamental processes of combustion and is an impediment to our understanding and modeling of key combustion controls used for manufacturing, transportation, fire safety, and pollution. Conducting experiments in the microgravity environment onboard the space shuttles eliminates these impediments. NASA Glenn Research Center's Combustion Module-2 (CM-2) and its three experiments successfully flew on STS-107/Columbia in the SPACEHAB module and provided the answers for many research questions. However, this research also opened up new questions. The CM-2 facility was the largest and most complex pressurized system ever flown by NASA and was a precursor to the Glenn Fluids and Combustion Facility planned to fly on the International Space Station. CM-2 operated three combustion experiments: Laminar Soot Processes (LSP), Structure of Flame Balls at Low Lewis-Number (SOFBALL), and Water Mist Fire Suppression Experiment (Mist). Although Columbia's mission ended in tragedy with the loss of her crew and much data, most of the CM-2 results were sent to the ground team during the mission.

Over, Ann P.↗
DOE OSTI2022

Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks

Tabulated chemistry models are widely used to simulate large-scale turbulent fires in applications including energy generation and fire safety. Tabulation via piecewise Cartesian interpolation suffers from the curse-of-dimensionality, leading to a prohibitive exponential growth in parameters and memory usage as more dimensions are considered. Artificial neural networks (ANNs) have attracted attention for constructing surrogates for chemistry models due to their ability to perform high-dimensional approximation. However, due to well-known pathologies regarding the realization of suboptimal local minima during training, in practice they do not converge and provide unreliable accuracy. Partition of unity networks (POUnets) are a recently introduced family of ANNs which preserve notions of convergence while performing high-dimensional approximation, discovering a mesh-free partition of space which may be used to perform optimal polynomial approximation. In this work, we assess their performance with respect to accuracy and model complexity in reconstructing unstructured flamelet data representative of nonadiabatic pool fire models. Our results show that POUnets can provide the desirable accuracy of classical spline-based interpolants with the low memory footprint of traditional ANNs while converging faster to significantly lower errors than ANNs. For example, we observe POUnets obtaining target accuracies in two dimensions with 40 to 50 times less memory and roughly double the compression in three dimensions. We also address the practical matter of efficiently training accurate POUnets by studying convergence over key hyperparameters, the impact of partition/basis formulation, and the sensitivity to initialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Biobased Flame Retardants Towards Sustainable Building Materials with Low Embodied Carbon

Incorporation of fire retardants in different types of products is one of the essential steps in the material production process to minimize fire risk and meet fire safety requirements. A variety of commonly used flame retardants based on halogen, mineral, and other compounds has gained popularity due to their efficient flame-retardant behaviors. However, especially in the case of halides, there are numerous toxicity related issues and environmental pollution effects that have urged the building sector to deviate from their use and focus on the development of non-toxic alternatives. Therefore, to enhance the safety of flame retardants, the synthesis of flame retardants from waste feedstocks using phosphorous chemistry with a dual flame-retardant mechanism has been established. A range of waste feedstocks that include cardanol, vanillin, and gallic acids has been converted into a series of flame retardants using a one-step approach by incorporating phosphorous moieties into their structures. The established pathways allow to develop a range of flame-retardant materials by converting waste feedstocks into phosphorous-based materials with inherent flame retardancy. The introduction of abundant aromatic structures from biobased feedstocks enables high charring capabilities in materials in which these biobased flame retardants have been incorporated, increasing their char yields which significantly enhances the flame suppressing properties of the designed materials. Studies show that inclusion of phosphoric moieties into structures allows the displacement of flame enhancing radicals, by releasing non-flammable and non-toxic gases, therefore inhibiting the spread of fire in the gas phase. The resulting biobased flame retardants have been incorporated in wood substrates, foam insulation, and hemp fibers where the results show that only 1-5% of loading of biobased flame retardant suppressed the flame completely. This study represents a novel approach for the development of flame retardants with high performance while utilizing waste feedstocks as a source for their design.

Demchuk, Zoriana [ORNL] (ORCID:0000000326292235)↗
NASA NTRS1998

Studying Turbulence Using Numerical Simulation Databases: Proceedings of the Summer Program - No. 7

The Seventh Summer Program of the Center for Turbulence Research took place in the four-week period, July 5 to July 31, 1998. This was the largest CTR Summer Program to date, involving thirty-six participants from the U. S. and nine other countries. Thirty-one Stanford and NASA-Ames staff members facilitated and contributed to most of the Summer projects. A new feature, and perhaps a preview of the future programs, was that many of the projects were executed on non-NASA computers. These included supercomputers located in Europe as well as those operated by the Departments of Defense and Energy in the United States. In addition, several simulation programs developed by the visiting participants at their home institutions were used. Another new feature was the prevalence of lap-top personal computers which were used by several participants to carry out some of the work that in the past were performed on desk-top workstations. We expect these trends to continue as computing power is enhanced and as more researchers (many of whom CTR alumni) use numerical simulations to study turbulent flows. CTR's main role continues to be in providing a forum for the study of turbulence for engineering analysis and in facilitating intellectual exchange among the leading researchers in the field. Once again the combustion group was the largest. Turbulent combustion has enjoyed remarkable progress in using simulations to address increasingly complex and practically more relevant questions. The combustion group's studies included such challenging topics as fuel evaporation, soot chemistry, and thermonuclear reactions. The latter study was one of three projects related to the Department of Energy's ASCI Program (www.llnl.gov/asci); the other two (rocket propulsion and fire safety) were carried out in the turbulence modeling group. The flow control and acoustics group demonstrated a successful application of the so-called evolution algorithms which actually led to a previously unknown forcing strategy for jets yielding increased spreading rate. A very efficient algorithm for flow in complex geometries with moving boundaries based on the immersed boundary forcing technique was tested with very encouraging results. Also a new strategy for the destruction of aircraft trailing vortices was introduced and tested. The Reynolds Averaged Modeling (RANS) group demonstrated that the elliptic relaxation concept for RANS calculations is also applicable to transonic flows with shocks; however, prediction of laminar/turbulent transition remains an important pacing item. A large fraction of the LES effort was devoted to the development and testing of a new algorithmic procedure (as opposed to phenomenological model) for subgrid scale modeling based on regularized de-filtering of the flow variables. This appears to be a very promising approach, and a significant effort is currently underway to assess its robustness in high Reynolds number flows and in conjunction with numerical methods for complex flows. As part of the Summer Program two review tutorials were given on Turbulent structures in hydrocarbon pool fires (Sheldon Tieszen), and Turbulent combustion modeling: from RANS to LES via DNS (Luc Vervisch); and two seminars entitled Assessment of turbulence models for engineering applications (Paul Durbin) and Subgrid-scale modeling for non-premixed, turbulent reacting flows (James Riley) were presented. A number of colleagues from universities, government agencies, and industry attended the final presentations of the participants on July 31 and participated in the discussions. There are twenty-six papers in this volume grouped in five areas. Each group is preceded with an overview by its coordinator.

Source record↗
DOE OSTI2021

Mechanical behavior of carbonated MgO-based Engineered Cementitious Composite (ECC) after high temperatures exposure

Carbonated MgO-based Engineered Cementitious Composite (ECC) has ultrahigh tensile ductility and tight crack width control behavior. However, the expectation of improved fire-resistant has not been confirmed. This study explored the alterations to mechanical and microstructure characteristics of this material after exposure to temperatures up to 500 °C. Material mass loss, compressive strength, tensile strength, strain capacity, and matrix fracture toughness were measured. Scanning electron microscopy, mercury intrusion porosimetry, thermogravimetric analysis, and X-ray diffraction were used to probe the degradation of the cement matrix and fibers. The effect of elevated temperature on carbonated MgO-based ECC was further assessed via examination of the micromechanical behavior of the fiber-matrix. The objective of this research was to assess the performance of carbonated MgO-based ECC exposed to fire hazards. The tensile ductility of carbonated MgO-based ECC was found to be enhanced when exposed to ~100 °C as compared with those at room temperature ~20 °C. Further increase in exposure temperature, however, posed a negative impact on the composite compressive strength, ultimate tensile strength, and ability to control crack width. Here the results provide a useful database for further investigations into carbonated MgO-based ECC for fire safety enhancement.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Theoretical estimates of flammability bounds for thin condensed fuel diffusion flames in microgravity using detailed models of chemistry and radiation

Recently, U-shape flammability maps have been constructed showing minimal oxygen vs. flame strain for opposed flame spread in micro-gravity by Olson and Ferkul. The U-shape defines the limiting flammability bounds from radiative extinction and flame blow-off. Here, the minimum of the U corresponds to the minimum possible oxidizer concentration where burning can occur, and is an important quantity of interest for fire safety. While high strain extinction bounds have been well analyzed, low strain radiative extinction has not. To estimate low strain extinction, in this study an analytical theory is developed based on thin flame theory coupled with a heat and mass transfer model for solid fuels. A reaction progress variable based on the Damköhler number is adapted in the theory to account for incomplete combustion at high strain rates and enable the capturing of the full flammability map. The analytical model is compared to a one dimensional numerical model w/ detailed chemical kinetics and coupled radiation heat transfer in planar and spherical geometries. The flammability maps are then qualitatively compared to experimental extinguishment data compiled by Olson and Ferkul for cylindrical rods of PMMA showing similar trends. The results show the newly developed analytics capture the radiative extinction bound compared to the numerical model and qualitatively agrees with microgravity data.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Efficient kinetic thermal inverse modeling for organic material decomposition

The prevalent use of organic materials in manufacturing is a fire safety concern, and motivates the need for predictive thermal decomposition models. A critical component of predictive modeling is numerical inference of kinetic parameters from bench scale data. Currently, an active area of computational pyrolysis research focuses on identifying efficient, robust methods for optimization. This paper demonstrates that kinetic parameter calibration problems can successfully be solved using classical gradient-based optimization. We explore calibration examples that exhibit characteristics of concern: high nonlinearity, high dimensionality, complicated schemes, overlapping reactions, noisy data, and poor initial guesses. The examples demonstrate that a simple, non-invasive change to the problem formulation can simultaneously avoid local minima, avoid computation of derivative matrices, achieve a computational efficiency speedup of 10x, and make optimization robust to perturbations of parameter components. Techniques from the mathematical optimization and inverse problem communities are employed. By re-examining gradient-based algorithms, we highlight opportunities to develop kinetic parameter calibration methods that should outperform current methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Sustainable bioleaching of lithium-ion batteries for critical materials recovery

The demand for lithium-ion batteries (LIBs) has increased substantially over the last few decades due to their longer lifetime, greater resistance to self-discharge, and higher output voltage compared to other battery types. With the global trend of electrifying vehicle fleets, the number of LIBs reaching their end-of-life (EOL) is expected to grow substantially in the next decade. These EOL LIBs represent a significant secondary source of materials (e.g., Li, Co, Ni, Mn) that can be recovered and reused in LIBs or other products. In this study, we developed a bioleaching process that could recover critical materials from EOL LIBs in an economical and environmentally sustainable manner under industrially relevant conditions. Black mass, i.e., cathode-containing powder, prepared from EOL LIBs was leached using a biolixiviant produced from corn stover by Gluconobacter oxydans bacteria. Iron(II) was used as a reducing agent to promote metal dissolution. Techno-economic analysis (TEA) estimated a potential average profit margin of 21% for processing 10,000 t of black mass per year, which represents approximately 30% of the available black mass in the US in 2020. Life cycle assessment (LCA) demonstrated that bioleaching of spent LIBs could be more environmentally sustainable than alternative hydrometallurgical recovery methods such as hydrochloric acid leaching (16-19 kg vs. 43-91 kg CO 2 equivalent global warming potential per kg of recovered cobalt). The TEA results are highly dependent on the cost of black mass production, which varies by EOL LIB collection and transportation costs. Finally, emerging technologies for deactivating used LIBs for fire safety at collection centers will allow the transport of EOL LIBs as non-hazardous materials, lower the cost of preparing black mass and thereby increase economic prospects for EOL LIBs recycling using this approach.

25 ENERGY STORAGE↗
DOE OSTI2020

Controlled Dy-doping to nickel-rich cathode materials in high temperature aerosol synthesis

Layered nickel-rich materials are promising next-generation cathode materials for lithium ion batteries due to their high capacity and low cost. However, the poor thermal stability and longtime cycling performance hinders the commercial applications of high nickel materials. Doping with heteroatoms has been an effective approach for improving electrochemical performance of cathode materials. Controlling doping concentration and geometrical distribution is desired for optimal electrochemical performance, but it is challenging in traditional co-precipitation methods. In this work, controlled dysprosium (Dy) doping to NCM811 was studied in an aerosol synthesis method by controlling the precursor concentrations and heating parameters. The obtained materials were characterized by SEM, XRD, and XPS, and their electrochemical properties and thermal stability were evaluated. By controlling the doping concentration (1.5%), Dy-doped NCM811 was improved simultaneously in long-term cycling and high-rate performance. Here, the thermal-chemical stability of the Dy-doped cathode materials was examined in a microflow reactor with a mass spectrometer. The results showed that Dy-doping shifted the O 2 onset temperature to a higher temperature and reduced O 2 release by 80%, thus dramatically increasing the thermal-chemical stability and improving the fire safety of cathode materials. Since high temperature aerosol synthesis is a low-cost and scalable method, the findings in this work have broad implications for commercial synthesis of novel materials with controlled doping modification to achieve high electrochemical performance and safety in lithium ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Numerical modeling of plasma assisted deflagration to detonation transition in a microscale channel

Here, this work numerically studies the plasma assisted deflagration to detonation transition (DDT) of H 2 /O 2 mixtures in a microscale channel with detailed chemistry and transport. The results show that the DDT onset time is non-monotonically dependent on the discharge pulse number. The DDT is accelerated with small pulse numbers, whereas retarded with large ones. Two different DDT regimes, respectively at a small and large plasma discharge number, via acoustic choking of the burned gas and plasma-enhanced reactivity gradient without acoustic choking, are observed. Without plasma discharge, pronounced pressure and temperature gradients in front of the flame are generated by acoustic compression after the choking of the burned gas, triggering DDT via autoignition. With small plasma pulse numbers, the plasma-generated species enhance the ignition kinetics and lead to an increased reactivity in the boundary layer. After the choking of the burned gas, the plasma-enhanced reactivity advances the sequence of autoignition near the wall, strengthens ignition-shock wave coupling, and accelerates DDT. However, with a large discharge pulse number, a direct autoignition initiating DDT can occur without the acoustic choking of the burned gas due to the strongly accelerated reactivity and elevated temperature. In this case, DDT onset is retarded because the elevated temperature increases sonic velocity and the increased reactivity accelerates fuel oxidation in front of the flame, decelerating the formation of a leading shock and subsequent pressure buildup ahead of the flame. The present modeling reveals that no matter with or without plasma discharge, DDT is initiated by autoignition in thermal, pressure, and reactivity gradient fields via the Zel'dovich gradient mechanism. The acoustic choking of the burned gas may not be the necessary condition of DDT with strong plasma-enhanced reactivity gradient. This work provides an answer to the experimentally observed non-monotonic DDT onset time by plasma, which provides guidance to control DDT in advanced detonation engines and fire safety of hydrogen-fueled catalytic reactors in microchannels by non-equilibrium plasma discharge.

33 ADVANCED PROPULSION SYSTEMS↗
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.↗