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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Assessment of tank designs for hydrogen storage on heavy duty vehicles using metal hydrides

The objective of this project was to evaluate material-based hydrogen storage solutions as a replacement for high-pressure hydrogen gas or liquid hydrogen on Class 7 or 8 tractor fuel cell electric vehicles. The project focused on low-density main-group hydrides, a well-known class of materials for hydrogen storage. Prior research has considered metal amides as storage materials for light-duty vehicles but not for heavy-duty applications. The project established the basis for further development of storage systems of this type for heavy duty vehicles (HDV). Systems analysis of an HDV storage system comprised of a tank and associated balance of plant (piping, coolant tubes, burner) was performed to determine the usable hydrogen capacity. A composite storage material comprised of a metal hydride mixed with a high thermal-conductivity carbon is predicted to have a usable hydrogen volumetric capacity comparable to or exceeding that of 700 bar pressurized hydrogen gas. The gravimetric capacity of this material is also predicted to be competitive with pressurized gas, particularly if costly carbon fiber composite Type III or Type IV tanks are excluded. The storage system design parameters and material properties served as inputs to a second model that simulates fuel cell operation in conjunction with the storage system during an HDV drive cycle. The results show that sufficient hydrogen pressure can be produced to operate a Class 8 HDV, yielding a range of ~480 miles. These results are particularly relevant for high-impact regions, such as the South Coast Air Quality Management District, for which an economical vehicular hydrogen storage system with minimal impact on cargo capacity could accelerate adoption of heavy-duty fuel cell electric vehicles. An additional benefit is that knowledge generated by this project can assist in development of material-based storage for stationary applications such as microgrids and backup power for data centers.

08 HYDROGEN↗
DOE OSTI2022

Implementation and testing of physics-based pulverization model in BISON

This report summarizes lower length scale computational research conducted to improve the pulverization criterion for high-burnup UO 2 fuel in the BISON fuel performance code. This research was sponsored by the NEAMS program during FY22. Efforts to improve the model primarily focus on calculating the current pressure of bubbles in the high-burnup structure (HBS) region, as well as the critical bubble pressure at which pulverization occurs in the HBS. The phase-field model for predicting initial bubble pressure in the HBS was improved by implementing a more realistic model for defect production, and by coupling the phase-field model for inter-granular bubble evolution with the spatially-resolved cluster dynamics code Xolotl to simulate intra-granular fission gas evolution. An evolution equation for current bubble pressure was added to BISON, an improvement over the previous model that assumed that bubble pressure was static following HBS formation. To improve calculations of critical bubble pressure for pulverization, 3-D phase-field fracture simulations were performed, and a function for critical bubble pressure was fit—based on the simulation results—to replace the previous function, which had been determined using 2-D simulations. The impacts of these modifications to the existing pulverization assessment cases will be reported in the forthcoming engineering scale milestone on high-burnup UO 2 pulverization. A poromechanics-based approach was used to include the effect of bubble over pressurization on the stress state of the pellet at the engineering scale, and the initial strategy for integration of the pulverization criterion with pellet-scale mechanical degradation using a smeared cracking model was developed. This report also describes the initial research that was conducted to inform a forthcoming transient fission gas release (tFGR) model in BISON. Focusing on the fission gas release caused by pulverization of the outer pellet rim, a model for the amount of fission gas release was developed as a function of fuel porosity, bubble size, and fragment size. Implementation of this model in BISON and its impact of engineering-scale predictions will also be described in the aforementioned engineering-scale milestone on high-burnup UO 2 pulverization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Microstructure Generation via Generative Adversarial Network for Heterogeneous, Topologically Complex 3D Materials

Using a large-scale, experimentally captured 3D microstructure dataset, we implement the generative adversarial network (GAN) framework to learn and generate 3D microstructures of solid oxide fuel cell electrodes. The generated microstructures are visually, statistically, and topologically realistic, with distributions of microstructural parameters, including volume fraction, particle size, surface area, tortuosity, and triple phase boundary density, being highly similar to those of the original microstructure. These results are compared and contrasted with those from an established, grain-based generation algorithm (DREAM.3D). Importantly, simulations of electrochemical performance, using a locally resolved finite element model, demonstrate that the GAN generated microstructures closely match the performance distribution of the original, while DREAM.3D leads to significant differences. Finally, the ability of the generative machine learning model to recreate microstructures with high fidelity suggests that the essence of complex microstructures may be captured and represented in a compact and manipulatable form.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Material Interactions in Severe Accidents – Benchmarking the MELCOR V2.2 Eutectics Model for a BWR-3 MARK-I Station Blackout: Part I – Single Case Analysis

Here in this analysis, the two material interaction models available in the MELCOR code are benchmarked for a severe accident at a BWR under representative Fukushima Daiichi boundary conditions. This part of the benchmark investigates the impact of each material interaction model on accident progression through a detailed single case analysis. It is found that the eutectics model simulation exhibits more rapid accident progression for the duration of the accident. The slower accident progression exhibited by the interactive materials model simulation, however, allows for a greater degree of core material oxidation and hydrogen generation to occur, as well as elevated core temperatures during the ex-vessel accident phase. The eutectics model simulation exhibits more significant degradation of core components during the late in-vessel accident phase – more debris forms and relocates to the lower plenum before lower head failure. The larger debris bed observed in the eutectics model simulation also reaches higher temperatures, presenting a more significant thermal challenge to the lower head until its failure. At the end of the simulated accident scenario, however, core damage is comparable between both simulations due to significant core degradation that occurs during the ex-vessel phase in the interactive materials model simulation. A key difference between the two models’ performance is the maximum temperatures that can be reached in the core and therefore the maximum ΔT between any two components. When implementing the interactive materials model, users have the option to modify the liquefaction temperature of the ZrO 2 -interactive and UO 2 -interactive materials as a way to mimic early fuel rod failure due to material interactions. Through modification of the liquefaction of high melting point materials with significant mass, users may inadvertently limit maximum core temperatures for fuel, cladding, and debris components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

PELICAN Status Report for Year 2021

The Pressure Drop Experimental Loop for Investigations of Core Assemblies in Advanced Nuclear Reactors, PELICAN, is a novel experimental facility designed and constructed to recreate the prototypic full scale hydraulic flow conditions for the Versatile Test Reactor (VTR) currently under development by the U.S. Department of Energy. To support VTR design efforts, PELICAN is used to replicate VTR’s primary heat transport system (PHTS) in the core assembly region. The measurement objectives for data generated from this test facility are to mimic the prototypic VTR assembly and to meet the validation needs for code calculations and simulations of the reference design for the VTR core. These objectives focus on the need to validate pressure drop results across the various segments of the fuel assembly, including the axial reflectors, fuel, and transition regions, as they relate directly to the pumping power and safety behavior of the reactor. In the following sections, the major milestones for the experimental work performed on PELICAN over the calendar year (CY) 2021 are presented. In the next section, we discuss the assembly and shakedown testing of the facility. In Section 3, an analysis of the errors in the major measurements is performed. In Section 4 and 5 we present the results from the first set of test articles placed inside the loop. The design of the remaining test articles as part of the full assembly are shown in Section 6 and the conclusion and path forward for the following year, CY22 is given in the final section.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1975

Nonreactive mixing study of a scramjet swept-strut fuel injector

The results are presented of a cold-mixing investigation performed to supply combustor design information and to determine optimum normal fuel-injector configurations for a general scramjet swept-strut fuel injector. The experimental investigation was made with two swept struts in a closed duct at a Mach number of 4.4 and a nominal ratio of jet mass flow to air mass flow of 0.0295, with helium used to simulate hydrogen fuel. Four injector patterns were evaluated; they represented the range of hole spacing and the ratio of jet dynamic pressure to free-stream dynamic pressure. Helium concentration, pitot pressure, and static pressure in the downstream mixing region were measured to generate the contour plots needed to define the mixing-region flow field and the mixing parameters. Experimental results show that the fuel penetration from the struts was less than the predicted values based on flat-plate data; but the mixing rate was faster and produced a mixing length less than one-half that predicted.

Mcclinton, C. R.↗
NASA NTRS1984

Calculation of a hollow-cone liquid spray in a uniform air stream

Fluid dynamic computer codes for the simulation of flows in gas turbine engine combustion systems are being developed. NASA is currently sponsoring a two-phase program for the evaluation of the performance of current codes, taking into account also an improvement of accuracy, if needed. The present investigation forms a part of this program. The numerical technique used includes a Lagrangian spray model for liquid fuels. The spray model, in conjunction with the turbulence model, determines the distribution of fuel in the burning zone of the combustor. The numerical technique was applied to a hollow-cone pressure atomizer spraying water into a coflowing confined airstream.

Sturgess, G. J.↗
NASA NTRS2000

Towards Flange-to-Flange Turbopump Simulations for Liquid Rocket Engines

The primary objective of this research is to support the design of liquid rocket systems for the Advanced Space Transportation System. Since the space launch systems in the near future are likely to rely on liquid rocket engines, increasing the efficiency and reliability of the engine components is an important task. One of the major problems in the liquid rocket engine is to understand fluid dynamics of fuel and oxidizer flows from the fuel tank to plume. Understanding the flow through the entire turbopump geometry through numerical simulation will be of significant value toward design. This will help to improve safety of future space missions. One of the milestones of this effort is to develop, apply and demonstrate the capability and accuracy of 3D CFD methods as efficient design analysis tools on high performance computer platforms. The development of the MPI and MLP versions of the INS3D code is currently underway. The serial version of INS3D code is a multidimensional incompressible Navier-Stokes solver based on overset grid technology. INS3D-MPI is based on the explicit massage-passing interface across processors and is primarily suited for distributed memory systems. INS3D-MLP is based on multi-level parallel method and is suitable for distributed-shared memory systems. For the entire turbopump simulations, moving boundary capability and an efficient time-accurate integration methods are build in the flow solver. To handle the geometric complexity and moving boundary problems, overset grid scheme is incorporated with the solver that new connectivity data will be obtained at each time step. The Chimera overlapped grid scheme allows subdomains move relative to each other, and provides a great flexibility when the boundary movement creates large displacements. The performance of the two time integration schemes for time-accurate computations is investigated. For an unsteady flow which requires small physical time step, the pressure projection method was found to be computationally efficient since it does not require any subiterations procedure. It was observed that the artificial compressibility method requires a fast convergence scheme at each physical time step in order to satisfy incompressibility condition. This was obtained by using a GMRES-ILU(0) solver in our computations. When a line-relaxation scheme was used, the time accuracy was degraded and time-accurate computations became very expensive. The current geometry for the LOX boost turbopump has various rotating and stationary components, such as inducer, stators, kicker, hydrolic turbine, where the flow is extremely unsteady. Figure 1 shows the geometry and computed surface pressure of the inducer. The inducer and the hydrolic turbine rotate in different rotational speed.

Kiris, Cetin↗
NASA NTRS2003

Coherent Anti-Stokes Raman Scattering (CARS) as a Probe for Supersonic Hydrogen-Fuel/Air Mixing

The dual-pump coherent anti-Stokes Raman spectroscopy (CARS) method was used to measure temperature and the absolute mole fractions of N2, O2 and H2 in a supersonic non-reacting fuel-air mixing experiment. Experiments were conducted in NASA Langley Research Center s Direct Connect Supersonic Combustion Test Facility. Under normal operation of this facility, hydrogen and air burn to increase the enthalpy of the test gas and O2 is added to simulate air. This gas is expanded through a Mach 2 nozzle and into a combustor model where fuel is then injected, mixes and burns. In the present experiment the O2 of the test gas is replaced by N2. The lack of oxidizer inhibited combustion of the injected H2 fuel jet allowing the fuel/air mixing process to be studied. CARS measurements were performed 427 mm downstream of the nozzle exit and 260 mm downstream of the fuel injector. Maps were obtained of the mean temperature, as well as the N2, O2 and H2 mean mole fraction fields. A map of mean H2O vapor mole fraction was also inferred from these measurements. Correlations between different measured parameters and their fluctuations are presented. The CARS measurements are compared with a preliminary computational prediction of the flow.

Danehy, P. M.↗
NASA NTRS1947

Simulated Altitude Performance of Combustors for the 24C Jet Engine: 24C-4 Combustor - 2

The performance of a 24C-4 combustor was investigated with three different combustor baskets and five modifications of these baskets at conditions simulating static (zero-ram) operation of the 24C jet engine over ranges of altitude and engine speed to determine and improve the altitude operational limits of the 24C combustor. Information was also obtained regarding combustion characteristics, the fuel-flow characteristics of the fuel manifolds, and the combustor total-pressure drop. NACA modifications, which consisted of blocking rows of holes on the baskets, increased the minimum point on the altitude-operational-limit curve, which occurs at low engine speeds, for a narrow-upstream-end basket by 8000 feet (from 23, 000 to 31,000 ft_ and for a wide-upstream-end basket by 21,000 feet (from 12, 000 to 34,000 ft). These improvements were approximately maintained over the entire range of engine speeds investigated.

Bernardo, Everett↗
NASA NTRS2015

Pathways Intern Report

During my time at NASA, I worked with the Granular Mechanics and Regolith Organization (GMRO), better known as Swamp Works. The goal of the lab is to find ways to utilize resources found after the astronaut or robot has landed on another planet or asteroid. This concept is known as in-situ resource utilization and it is critical to long term missions such as those to Mars. During my time here I worked on the Asteroid and Lava Tube Free Flyer project (ALTFF). A lava tube, such as the one shown in figure 1, is a long tear drop shaped cavern that is produced when molten lava tunnels through the surrounding rock creating large unground pathways. Before mining for resources on Mars or on asteroids, a sampling mission must be done to scout out useful resource deposits. ALTFF's goal is to provide a low cost, autonomous scout robot that can sample the surface and return to the mother ship or lander for further processing of the samples. The vehicle will be looking for water ice in the regolith that can be processed into either potable water, hydrogen and oxygen fuel, or a binder material for 3D printing. By using a low cost craft to sample, there is much less risk to the more expensive mother ship or lander. While my main task was the construction of a simulation environment to test control code in and the construction of the asteroid free flyer prototype, there were other tasks that I performed relating to the ALTFF project.

Pathways↗
NASA NTRSDate not supplied

Validation of CFD Model Prediction of Flow Boiling Regime Transitions during LN2 Line Chilldown

Propellant storage and transfer during future long-duration missions will involve fuel depot operations in which a donor depot tank is used to fill a receiver spacecraft tank with a cryogenic propellant. Prior to the on-Orbit filling operation both the receiver tank and the transfer line must be cooled. The line chilldown process involves transition between boiling regimes in microgravity that will be quite different from their 1g ground-based counterparts. Since the cryogenic propellant itself will be used to perform the chilldown process, the time constants to cool the wall and the amount of fuel that will be used become important design considerations. In this light, the focus of the present work is to understand the flow boiling characteristics of a cryogenic fluid, namely, liquid nitrogen, during the chill-down of a transfer line using CFD modelling and simulations. The cryogenic chill-down process involves different flow boiling regimes: film boiling, transition boiling and nucleate boiling. The prediction of transition between these regimes in a CFD framework is new and challenging. The present work addresses this challenge by employing a volume-of-fluid (VOF) based methodology with Lee phase change model to predict the film boiling regime of the chill-down process in ANSYS Fluent®. The transition and nucleate boiling regimes are predicted by incorporating a sub-grid model developed by Craft Tech that accounts for bubble nucleation, growth, shedding frequency, and departure diameter. The sub-grid model is implemented into Fluent via a user-defined function for wall-fluid heat flux calculations. The sub-grid model is similar in formulation to the well-known Rensselaer Polytechnic Institute (RPI) boiling model. The model constants are tested for different operating conditions and designated values are reported. The CFD model is validated against published experimental data for liquid nitrogen chill-down of a heated stainless-steel pipe in 1g. Predicted results showing good agreement of wall temperature, rewetting temperature, and transition between film and nucleate boiling with the experimental measurements are presented and discussed.

Boiling regimes↗
NASA NTRSDate not supplied

Predictions of Line Chilldown Boiling Regime Transitions by a Coupled CFD-Sub-Grid Boiling Model Validated against 1G LN2 Experiments

Propellant storage and transfer during future long-duration missions will involve fuel depot operations in which a donor depot tank is used to fill a receiver spacecraft tank with a cryogenic propellant. Prior to the on-Orbit filling operation both the receiver tank and the transfer line must be cooled. The line chilldown process involves transition between boiling regimes in microgravity that will be quite different from their 1g ground-based counterparts. Since the cryogenic propellant itself will be used to perform the chilldown process, the time constants to cool the wall and the amount of fuel that will be used become important design considerations. In this light, the focus of the present work is to capture the flow boiling characteristics of a cryogenic fluid, namely, liquid nitrogen, during the chill-down of a transfer line using CFD modelling and simulations. The cryogenic chill-down process involves different flow boiling regimes: film boiling, transition boiling and nucleate boiling. The prediction of transition between these regimes in a CFD framework is new and challenging. The present work addresses this challenge by employing a volume-of-fluid (VOF) based methodology with Lee phase change model to predict the film boiling regime of the chill-down process in ANSYS Fluent®. The transition and nucleate boiling regimes are predicted by incorporating a sub-grid model that accounts for bubble nucleation, growth, shedding frequency, and departure diameter. The sub-grid model is implemented into Fluent via a user-defined function for wall-fluid heat flux calculations. The sub-grid model is similar in formulation to the well-known Rensselaer Polytechnic Institute (RPI) boiling model. The CFD model is validated against published experimental data for liquid nitrogen chill-down of a heated stainless-steel pipe in 1g. Predicted results shows good agreement of wall temperature, rewetting temperature, and transition between film and nucleate boiling with the experimental measurements for several different LN2 flowrates in the vertical orientation. The strengths and weaknesses of this modeling approach are presented and discussed.

Cryogenic Fluid Management↗
DOE OSTI2023

Multiscale molecular simulations for the solvation of lignin in ionic liquids

Lignin, the second most abundant biopolymer found in nature, has emerged as a potential source of sustainable fuels, chemicals, and materials. Finding suitable solvents, as well as technologies for efficient and affordable lignin dissolution and depolymerization, are major obstacles in the conversion of lignin to value-added products. Certain ionic liquids (ILs) are capable of dissolving and depolymerizing lignin but designing and developing an effective IL for lignin dissolution remains quite challenging. To address this issue, the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) model was used to screen 5670 ILs by computing logarithmic activity coefficients (ln(γ)) and excess enthalpies (H E ) of lignin, respectively. Based on the COSMO-RS computed thermodynamic properties (ln(γ) and H E ) of lignin, anions such as acetate, methyl carbonate, octanoate, glycinate, alaninate, and lysinate in combination with cations like tetraalkylammonium, tetraalkylphosphonium, and pyridinium are predicted to be suitable solvents for lignin dissolution. The dissolution properties such as interaction energy between anion and cation, viscosity, Hansen solubility parameters, dissociation constants, and Kamlet–Taft parameters of selected ILs were evaluated to assess their propensity for lignin dissolution. Furthermore, molecular dynamics (MD) simulations were performed to understand the structural and dynamic properties of tetrabutylammonium [TBA] + -based ILs and lignin mixtures and to shed light on the mechanisms involved in lignin dissolution. MD simulation results suggested [TBA] + -based ILs have the potential to dissolve lignin because of their higher contact probability and interaction energies with lignin when compared to cholinium lysinate.

09 BIOMASS FUELS↗
DOE OSTI2021

Low-Cost Radiant Heater for Rapid Response, High-Temperature Heating

High-temperature processing has an irreplaceable role in many research and industrial applications. Despite remarkable development spanning over a century, the pursuit of even higher thermal flux density and more rapid thermal transients has not slowed down. As part of the ongoing energy evolution, many industrial applications are transitioning from direct combustion of fossil fuels as primary energy sources to increasing electrification, capable of adapting to renewable power grids. Thus, there is an emerging need for electrical heaters that can replace burners and supply the heat demand, especially at the highest temperatures. In this study, we report on a radiant heater design that can achieve cyclic heating/cooling rates of up to 400 K min –1 and a temperature range in excess of 1,800 K, comparable to those of commercial infrared gold image furnaces, at high surface and volumetric power densities. The heater consists of a modular unit of incandescent tungsten filament and is enclosed in an evacuated ceramic envelope, chemically inert, tolerant of thermal shock, and impervious to gasses. The material and manufacture cost of such heaters, which is estimated at ~$0.05/W, is less than 0.03% of that for infrared gold image furnaces, which is at >$2/W. Tests of more than 10,000 demanding cycles (high temperature and high heating/cooling rate) over 350 h of total operational time and in different temperature ranges confirm the robust performance of radiant heater prototypes. The design is widely applicable to high-temperature reactor and furnace designs. In thermochemistry research and practice, these radiant heaters could offer multiple benefits compared to solar simulators, lasers, infrared gold furnaces, ceramic heaters, or direct concentration of solar input.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Regimes of evaporation and mixing behaviors of nanodroplets at transcritical conditions

The objective of this paper is to examine the fundamental mechanisms responsible for the transition between subcritical evaporation and supercritical dense-fluid-mixing in the absence of convection effects, specifically focusing on the liquid–vapor interfacial dynamics. To isolate the dynamics of this transition process, we characterize the different physical behaviors exhibited by an -dodecane nanoscale droplet placed in different nitrogen ambient conditions across the fuel’s critical point. We employ a continuum-based interface-resolving diffuse-interface method to explore the underlying phase-exchange mechanisms that bring about such distinct dynamics. Following the comparison against molecular dynamics simulations and experiments of evaporating droplets and experimental data for vapor–liquid equilibria, a parametric study at various ambient conditions and droplet sizing is performed to identify four regimes of evaporation/mixing behaviors: sub- and supercritical droplet evaporation, and sub- and supercritical dense-fluid-mixing. It is shown that the distinction in the phase-exchange mechanisms in these four regimes are brought about by the different thermodynamic phases the droplet center can exhibit during the evaporation/mixing process: subcritical liquid, supercritical liquid-like, subcritical gaseous, and supercritical gas-like, respectively. It is shown that the subcritical dense-fluid-mixing behavior is a direct result of nanoconfinement of the liquid–vapor interfacial structure and thus is not present for large droplet sizes. Finally, the present study also shows that the supercritical phase-exchange dynamics can follow two different pathways: supercritical droplet-like evaporation and supercritical dense-fluid-mixing. Furthermore, promoting the early transition to supercritical dense-fluid-mixing can significantly expedite the phase-exchange process through the disintegration of the liquid-like droplet core.

42 ENGINEERING↗
DOE OSTI2025

Internally Catalyzed Hydrogen Atom Transfer (I-CHAT)—A New Class of Reactions in Combustion Chemistry

The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O–O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular “catalytic hydrogen atom transfer” mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers—enol hydroperoxides (EHP). The uncertainty in the contribution of enols is typically due to the high computed barriers for conventional (“direct”) keto–enol tautomerization. Remarkably, the I-CHAT dramatically reduces such barriers. The novel mechanism can be regarded as an intramolecular version of the intermolecular relay transfer of H-atoms mediated by an external molecule following the general classification of such processes (Catal. Rev.-Sci. Eng. 2014, 56, 403). Here, we present a detailed mechanistic and kinetic analysis of the I-CHAT-facilitated pathways applied to n-hexane, n-heptane, and n-pentane models as prototype molecules for gasoline, diesel, and hybrid rocket fuels. We particularly examined the formation kinetics and subsequent dissociation of the γ-enol-hydroperoxide isomer of the most abundant pentane-derived isomer γ-C5-KHP observed experimentally. To gain molecular-level insight into the I-CHAT catalysis, we have also explored the role of the internal catalyst moieties using truncated models. All applied models demonstrated a significant reduction in the isomerization barriers, primarily due to the decreased ring strain in transition states. In addition, the longer-range and sequential H-migration processes were also identified and illustrated via a combined double keto–enol conversion of heptane-2,6-diketo-4-hydroperoxide as a potential chain-branching model. To assess the possible impact of the I-CHAT channels on global fuel combustion characteristics, we performed a detailed kinetic analysis of the isomerization and decomposition of γ-C5-KHP comparing I-CHAT with key alternative reactions—direct dissociation and Korcek channels. Calculated rate parameters were implemented into a modified version of the n-pentane kinetic model developed earlier using RMG automated model generation tools (ACS Omega, 2023, 8, 4908). Simulations of ignition delay times revealed the significant effect of the new pathways, suggesting an important role of the I-CHAT pathways in the low-T combustion of large alkanes.

Biochemistry & Molecular Biology↗
NASA NTRS1989

Hydrocarbon-fueled scramjet combustor component development tests

Technology is being developed for a hydrocarbon-fueled engine operating as a scramjet over the flight Mach number range from 5.6 to 7. A series of connected-pipe tests were performed to define scramjet combustor design criteria applicable to the United Technologies Research Center (UTRC) engine concept which comprises a pair of modular axisymmetric combustor underslung on a supersonic/hypersonic missile. The development of key pilot and fuel injector components of the combustor is pursued in a variable-geometry two-dimensional test section over a range of combustor entrance conditions simulating the intended flight regime. The applicability of the two-dimensional test results to the axisymmetric engine is ensured by maintaining a proper simulation of combustor entrance conditions and preserving the actual length scale in the two-dimensional test configuration. An air-breathing pilot was developed and tested to evaluate flame stabilization and flame propagation characteristics. A pilot configuration was developed that operated stably, with minimal flow spillage, at exhaust stagnation temperatures as high as 4500 R with ethylene fuel. It was demonstrated that the pilot promotes efficient combustion of either gaseous ethylene or preheated liquid Jet-A (JP-5) when they are injected into the supersonic mainstream flow as primary fuels. For the tests with Jet-A fuel, the fuel was heated in an array of internal cooling passages within the pilot walls to a thermodynamic condition such that it would flash-vaporize upon injection into the mainstream flow. The idea of using the air-breathing pilot and distributed primary and secondary fuel injectors to achieve efficient supersonic combustion over a wide range of equivalence ratios was also experimentally demonstrated during the program. During staged fuel injection tests with gaseous ethylene fuel, high secondary fuel combustion efficiencies were achieved and smooth transitions from fully supersonic to dual mode (supersonic/subsonic) operation were demonstrated at high overall equivalence ratios.

Kay, Ira W.↗