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At least 181 records · Page 10

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DOE OSTI2023

A Theoretical Study of NH 2 Radical Reactions with Propane and Its Kinetic Implications in NH 3 -Propane Blends’ Oxidation

The reaction of NH 2 radicals with C 3 H 8 is crucial for understanding the combustion behavior of NH 3 /C 3 H 8 blends. In this study, we investigated the temperature dependence of the rate coefficients for the hydrogen abstraction reactions of C 3 H 8 by NH 2 radicals using high-level theoretical approaches. The potential energy surface was constructed at the CCSD(T)/cc-pV(T, Q)//M06-2X/aug-cc-pVTZ level of theory, and the rate coefficients were computed using conventional transition state theory, incorporating the corrections for quantum tunneling and hindered internal rotors (HIR). The computed rate coefficients showed a strong curvature in the Arrhenius behavior, capturing the experimental literature data well at low temperatures. However, at T > 1500 K, the theory severely overpredicted the experimental data. The available theoretical studies did not align with the experiment at high temperatures, and the possible reasons for this discrepancy are discussed. At 300 K, the reaction of NH 2 with C 3 H 8 predominantly occurs at the secondary C-H site, which accounts for approximately 95% of the total reaction flux. However, the hydrogen abstraction reaction at the primary C-H site becomes the dominant reaction above 1700 K. A composite kinetic model was built, which incorporated the computed rate coefficients for NH 2 + C 3 H 8 reactions. The importance of NH 2 + C 3 H 8 reactions in predicting the combustion behavior of NH 3 /C 3 H 8 blends was demonstrated by kinetic modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Exploring the Effects of Piston Bowl Geometry and Injector Included Angle on Dual-Fuel and Single-Fuel RCCI

Abstract Reactivity control compression ignition (RCCI) is a low-temperature combustion technique that has been proposed to meet the current demand for high thermal efficiency and low engine-out emissions. However, its requirement of two separate fuel systems (i.e., a low-reactivity fuel system and a high-reactivity fuel system) has been one of its major challenges in the last decade. This leads to the single-fuel RCCI concept, where the secondary fuel (reformates of diesel) is generated from the primary fuel (diesel) through catalytic partial oxidation reformation. Following the in-depth analysis of the reformate fuel (reformates of diesel) and its benefit as the low-reactivity fuel with diesel, the effects of the start of injection (SOI) timing of diesel and the energy-based blend ratio were also studied in detail. In this study, the effects of piston profile and the injector included angles were experimentally examined using both conventional fuel pairs (gasoline—diesel and natural gas—diesel) and reformate RCCI. A validated computational fluid dynamics (CFD) model was also used for a better understanding of the experimental trends. Comparing a reentrant bowl piston with a shallow bowl piston at a constant compression ratio and SOI, the latter showed better thermal efficiency, regardless of the fuel combination, due to its 10% lower surface area for the heat transfer. Comparing the 150-degree included angle and 60-degree included angle on the shallow bowl piston, the latter showed better combustion efficiency, regardless of the fuel combination, due to its earlier combustion phasing (at constant SOI timing). The effect was particularly prominent on reformate RCCI because of its incredibly high diluent concentration, which retards the combustion further for the 150-deg injector. Later, using convergecfd, seven different injector included angles were studied at a constant SOI. With the change in injector included angle, the region of the cylinder targeted by the fuel spray varies significantly, and it was found to have a significant impact on the combustion efficiency and the engine-out emissions. As the injector included angle changed from 60-deg to 150-deg, the combustion efficiency increased by 15% and the CO, NOx, and HC emissions decreased by 96%, 70%, and 86%, respectively.

Engineering↗

NASA NTRS1983

Executive summary, aerothermal modeling program, phase 1

Submodels used in the combustor analytical models that were successfully used in designing advanced technology combustors were assessed. Specific recommendations for further improvement of model accuracy for combustor design purposes were made. Based upon an exhaustive literature survey, a number of test cases were selected to assess accuracy of submodels of turbulence, turbulence/chemistry interaction, spray combustion, and dilution jet mixing processes within a confined cross-stream. These test cases included simple flows and complex flows with and without swirl. Nonrecirculating and recirculating, and nonreactive and reactive flows were investigated. It was concluded that the current models give qualitative trends for the recirculating secondary flows (as encountered in a gas turbine combustor primary zone), but the predictions are good for the dilution zone.

Srinivasan, R.↗

NASA NTRS1986

Component testing of a ground based gas turbine steam cooled rich-burn primary zone combustor for emissions control of nitrogeneous fuels

This effort summarizes the work performed on a steam cooled, rich-burn primary zone, variable geometry combustor designed for combustion of nitrogeneous fuels such as heavy oils or synthetic crude oils. The steam cooling was employed to determine its feasibility and assess its usefulness as part of a ground based gas turbine bottoming cycle. Variable combustor geometry was employed to demonstrate its ability to control primary and secondary zone equivalence ratios and overall pressure drop. Both concepts proved to be highly successful in achieving their desired objectives. The steam cooling reduced peak liner temperatures to less than 800 K. This low temperature offers the potential of both long life and reduced use of strategic materials for liner fabrication. These degrees of variable geometry were successfully employed to control air flow distribution within the combustor. A variable blade angle axial flow air swirler was used to control primary zone air flow, while the secondary and tertiary zone air flows were controlled by rotating bands which regulated air flow to the secondary zone quench holes and the dilutions holes respectively.

Schultz, D. F.↗

NASA NTRS1999

Prediction of X-33 Engine Dynamic Environments

Rocket engines normally have two primary sources of dynamic excitation. The first source is the injector and the combustion chambers that generate wide band random vibration. The second source is the turbopumps, which produce lower levels of wide band random vibration as well as sinusoidal vibration at frequencies related to the rotating speed and multiples thereof. Additionally, the pressure fluctuations due to flow turbulence and acoustics represent secondary sources of excitation. During the development stage, in order to design/size the rocket engine components, the local dynamic environments as well as dynamic interface loads have to be defined.

Shi, John J.↗

NASA NTRS1947

Performance Charts for the Turbojet Engine

Charts are presented for computing the thrust, fuel consumption, and other performance values of a turbojet engine for any given set of operating conditions and component efficiencies. The effects of the pressure losses in the inlet duct and combustion chamber, the variation in the physical properties of the gas as it passes through the cycle, and the change in mass flow by the addition of fuel are included. The principle performance charts show the effects of the primary variables and correction charts provide the effects of the secondary variables.

Pinkel, Benjamin↗

NASA NTRS1999

Development of Thermal Barriers for Solid Rocket Motor Nozzle Joints

The Space Shuttle solid rocket motor case assembly joints are sealed using conventional 0-ring seals. The 5500+F combustion gases are kept a safe distance away from the seals by thick layers of insulation. Special joint-fill compounds are used to fill the joints in the insulation to prevent a direct flowpath to the seals. On a number of occasions. NASA has observed in several of the rocket nozzle assembly joints hot gas penetration through defects in the joint- fill compound. The current nozzle-to-case joint design incorporates primary, secondary and wiper (inner-most) 0-rings and polysulfide joint-fill compound. In the current design, 1 out of 7 motors experience hot gas to the wiper 0-ring. Though the condition does not threaten motor safety, evidence of hot gas to the wiper 0-ring results in extensive reviews before resuming flight. NASA and solid rocket motor manufacturer Thiokol are working to improve the nozzle-to-case joint design by implementing a more reliable J-leg design and a thermal barrier, This paper presents burn-resistance, temperature drop, flow and resiliency test results for several types of NASA braided carbon-fiber thermal barriers. Burn tests were performed to determine the time to burn through each of the thermal barriers when exposed to the flame of an oxy-acetylene torch (5500 F), representative of the 5500 F solid rocket motor combustion temperatures. Thermal barriers braided out of carbon fibers endured the flame for over 6 minutes, three times longer than solid rocket motor burn time. Tests were performed on two thermal barrier braid architectures, denoted Carbon-3 and Carbon-6, to measure the temperature drop across and along the barrier in a compressed state when subjected to the flame of an oxyacetylene torch. Carbon-3 and Carbon-6 thermal barriers were excellent insulators causing temperature drops through their diameter of up to a 2800 and 2560 F. respectively. Gas temperature 1/4" downstream of the thermal barrier were within the downstream Viton 0-ring temperature limit of 600 F. Carbon-6 performed extremely well in subscale rocket "char" motor tests when subjected to hot gas at 3200 F for an 11 second rocket firing, simulating the maximum downstream joint cavity fill time. The thermal barrier reduced the incoming hot gas temperature by 2200 F in an intentionally oversized gap defect, spread the incoming jet flow, and blocked hot slag, thereby offering protection to the downstream 0-rings.

Steinetz, Bruce M.↗

NASA NTRS1981

Fuel/oxidizer-rich high-pressure preburners

The analyses, designs, fabrication, and cold-flow acceptance testing of LOX/RP-1 preburner components required for a high-pressure staged-combustion rocket engine are discussed. Separate designs of injectors, combustion chambers, turbine simulators, and hot-gas mixing devices are provided for fuel-rich and oxidizer-rich operation. The fuel-rich design addresses the problem of non-equilibrium LOX/RP-1 combustion. The development and use of a pseudo-kinetic combustion model for predicting operating efficiency, physical properties of the combustion products, and the potential for generating solid carbon is presented. The oxygen-rich design addresses the design criteria for the prevention of metal ignition. This is accomplished by the selection of materials and the generation of well-mixed gases. The combining of unique propellant injector element designs with secondary mixing devices is predicted to be the best approach.

Schoenman, L.↗

DOE OSTI2022

Challenges in Kinetic modeling of ammonia pyrolysis

Ammonia pyrolysis reactions have implications for its ignition and oxidation in engines and gas turbines. In the present work, the chemistry of ammonia pyrolysis is investigated by kinetic modeling and theory. Rate constants for key reactions are carefully evaluated based on available experimental and theoretical results. The high pressure limit k1,∞ for NH 2 + H (+M) &rlarr; NH 3 (+M) (R1) is calculated to be essentially the collision frequency, indicating that dissociation of ammonia in combustion processes will be at or close to the low pressure limit even at engine and gas turbine conditions. The chemical kinetic model is validated against reported shock tube measurements of NH 3 , NH 2 , and NH in ammonia pyrolysis. Predictions are in good agreement with observations for dilute conditions (≤ 0.5% NH 3 ), but the model appears to underpredict the NH 3 consumption rate at longer times in less dilute mixtures. At short reaction times, thermal dissociation of NH3, together with the NH 3 + H reaction, controls conversion. At longer times, secondary reactions involving NH 2 and NH become important due to their impact on the radical pool. Predictions become sensitive to formation and consumption of diazene (tHNNH and cHNNH). Several of the key steps in the ammonia pyrolysis mechanism are radical-radical reactions that are difficult to measure accurately and challenging to calculate theoretically, and a more comprehensive experimental characterization is desirable to support further model development.

10 SYNTHETIC FUELS↗

NASA NTRS1980

An analytical study of nitrogen oxides and carbon monoxide emissions in hydrocarbon combustion with added nitrogen - Preliminary results

The influence of ground-based gas turbine combustor operating conditions and fuel-bound nitrogen (FBN) found in coal-derived liquid fuels on the formation of nitrogen oxides and carbon monoxide is investigated. Analytical predictions of NOx and CO concentrations are obtained for a two-stage, adiabatic, perfectly-stirred reactor operating on a propane-air mixture, with primary equivalence ratios from 0.5 to 1.7, secondary equivalence ratios of 0.5 or 0.7, primary stage residence times from 12 to 20 msec, secondary stage residence times of 1, 2 and 3 msec and fuel nitrogen contents of 0.5, 1.0 and 2.0 wt %. Minimum nitrogen oxide but maximum carbon monoxide formation is obtained at primary zone equivalence ratios between 1.4 and 1.5, with percentage conversion of FBN to NOx decreasing with increased fuel nitrogen content. Additional secondary dilution is observed to reduce final pollutant concentrations, with NOx concentration independent of secondary residence time and CO decreasing with secondary residence time; primary zone residence time is not observed to affect final NOx and CO concentrations significantly. Finally, comparison of computed results with experimental values shows a good semiquantitative agreement.

Bittker, D. A.↗

NASA NTRS1979

An analytical study of nitrogen oxides and carbon monoxide emissions in hydrocarbon combustion with added nitrogen, preliminary results

The effect of combustor operating conditions on the conversion of fuel-bound nitrogen (FBN) to nitrogen oxides NO sub x was analytically determined. The effect of FBN and of operating conditions on carbon monoxide (CO) formation was also studied. For these computations, the combustor was assumed to be a two stage, adiabatic, perfectly-stirred reactor. Propane-air was used as the combustible mixture and fuel-bound nitrogen was simulated by adding nitrogen atoms to the mixture. The oxidation of propane and formation of NO sub x and CO were modeled by a fifty-seven reaction chemical mechanism. The results for NO sub x and CO formation are given as functions of primary and secondary stage equivalence ratios and residence times.

Bittker, D. A.↗

NASA NTRS2013

Piezoelectrically Initiated Pyrotechnic Igniter

This innovation consists of a pyrotechnic initiator and piezoelectric initiation system. The device will be capable of being initiated mechanically; resisting initiation by EMF, RF, and EMI (electromagnetic field, radio frequency, and electromagnetic interference, respectively); and initiating in water environments and space environments. Current devices of this nature are initiated by the mechanical action of a firing pin against a primer. Primers historically are prone to failure. These failures are commonly known as misfires or hang-fires. In many cases, the primer shows the dent where the firing pin struck the primer, but the primer failed to fire. In devices such as "T" handles, which are commonly used to initiate the blowout of canopies, loss of function of the device may result in loss of crew. In devices such as flares or smoke generators, failure can result in failure to spot a downed pilot. The piezoelectrically initiated ignition system consists of a pyrotechnic device that plugs into a mechanical system (activator), which on activation, generates a high-voltage spark. The activator, when released, will strike a stack of electrically linked piezo crystals, generating a high-voltage, low-amperage current that is then conducted to the pyro-initiator. Within the initiator, an electrode releases a spark that passes through a pyrotechnic first-fire mixture, causing it to combust. The combustion of the first-fire initiates a primary pyrotechnic or explosive powder. If used in a "T" handle, the primary would ramp the speed of burn up to the speed of sound, generating a shock wave that would cause a high explosive to go "high order." In a flare or smoke generator, the secondary would produce the heat necessary to ignite the pyrotechnic mixture. The piezo activator subsystem is redundant in that a second stack of crystals would be struck at the same time with the same activation force, doubling the probability of a first strike spark generation. If the first activation fails to ignite, the device is capable of multiple attempts. Another unique aspect is in the design of the pyrotechnic device. There is an electrode that aids the generation of a directed spark and the use of a conductive matrix to support the first-fire material so that the spark will penetrate to the second electrode.

Quince, Asia↗

NASA NTRS1990

Space vehicle propulsion systems - Environmental space hazards

An evaluation of hazards which exist in geo-lunar space and have the potential to negatively affect a long-term mission-oriented spacecraft systems is presented based on published data. The hazards are categorized as pervasive (radiation), incident specific (meteoroids and thermal shock), and chemically corrosive (monatomic oxygen). It appears that the number one priority should be the development of new materials; and the secondary concern should be the development of fabrication techniques for the exterior hull, so that incident specific hazards can be minimized in an active fashion. The pervasive hazard can be dealt with by exploring on-board circuit technology with ancillary monitoring systems. Effects of thermal shock on the exterior nozzle, directional gimbals, and internal combustion chamber geometry seem to need more investigation.

Bahr, G. K.↗

NASA NTRS1947

A Thermodynamic Study of the Turbojet Engine

Charts are presented for computing thrust, fuel consumption, and other performance values of a turbojet engine for any given set of operating conditions and component efficiencies. The effects of pressure losses in the inlet duct and the combustion chamber, of variation in physical properties of the gas as it passes through the system, of reheating of the gas due to turbine losses, and of change in mass flow by the addition of fuel are included. The principle performance chart shows the effects of primary variables and correction charts provide the effects of secondary variables and of turbine-loss reheat on the performance of the system. The influence of characteristics of a given compressor and turbine on performance of a turbojet engine containing a matched set of these given components is discussed for cases of an engine with a centrifugal-flow compressor and of an engine with an axial-flow compressor.

Pinkel, Benjamin↗

DOE OSTI2021

Amines have lower sooting tendencies than analogous alkanes, alcohols, and ethers

While the sooting tendencies of regular hydrocarbons, oxygenates, and complex fuel mixtures have been well-studied, far less research has been devoted to analyzing the influence of fuel-nitrogen on soot formation. The effect of nitrogen on soot formation becomes relevant for diesel fuels with nitrogen-containing additives, as well as biomass or biomass-derived fuels, which can contain up to 30% nitrogen-containing compounds by dry weight. To begin closing these gaps in the literature, the sooting tendencies of 14 C4 and C6 amines were measured. Sooting tendencies were quantified by re-scaling relative soot concentrations measured in fuel-doped methane flames into Yield Sooting Indices (YSI). The relative soot concentrations were measured with line-of-sight spectral radiance, and validation experiments confirmed that the presence of nitrogen in the test compounds did not interfere with this diagnostic. All of these amines had lower sooting tendencies than the structurally analogous hydrocarbons and oxygenates. The sooting tendencies of amine isomers with the same chemical formula varied significantly. Secondary amines with linear substituents were found to offer the lowest sooting propensity, while primary amines with branched substituents were observed to yield the largest sooting tendencies. In conclusion, the relationship between sooting propensity and chemical structure of the amines hints at the complex nature of soot formation, and highlights an interesting and unexplored area of combustion chemistry for further studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Preheating and premixing effects on NO x emissions in a high-pressure axially staged combustor

NO x emissions remain a primary concern for modern and future gas turbines, particularly as we progress towards a net-zero carbon future. It is critical to identify novel strategies to mitigate environmental pollutants for both modern turbines operated on natural gas and future turbines projected to use carbon-free fuels (such as hydrogen). In the current study, NO x emissions of a reacting methane-air jet in a vitiated crossflow are experimentally investigated in a model axially staged combustor at 5 atm. The combustion products from the main stage combustor flow into the axial stage at temperatures ranging from 1580 to 1650 °C. The axial stage contains a reacting jet in crossflow, which provides an overall temperature rise ranging from 50 to 220 °C to generate exit temperatures similar to gas turbine engines. The focus of this paper is to explore the effects of flame liftoff and ignition timescales on the NO x contribution of this secondary jet. This is done by varying the premixed level and preheat temperature of the axial jet. The effects are explored at different momentum flux ratios (J), jet equivalence ratios (φ jet ), exit temperatures (T exit ), and main stage (headend) temperatures (T HE ). High-speed CH* chemiluminescence imaging is employed for each test case to determine the flame stabilization point. For a given temperature rise and combustor exit temperature, an increase in ignition delay was observed with a decrease in jet temperature. This provided a NO x benefit, particularly for jets that are injected at or close to an ignitable mixture fraction. Similarly, the coaxial injector caused a significant ignition delay compared to the fully premixed injector; this also led to a NO x benefit. Overall, the results show that a thermally driven delay in the axial stage provides a greater NO x reduction than a mixing delay.

03 NATURAL GAS↗

DOE OSTI2022

The Reaction of HO2 and CH3O2: CH3OOH Formed from the Singlet Electronic State Surface

High-level coupled-cluster calculations in combination with two-dimensional master equation simulations were used to study the HO2 + CH3O2 reaction, which plays an important role in the oxidation of methane and hydrocarbons in the Earth’s atmosphere and low-temperature combustion. The main reaction pathways taking place on the lowest-lying triplet and singlet potential energy surfaces (PES) were characterized. Interestingly, methyl hydroperoxide (CH3OOH), the sole product, could be produced from both the triplet and singlet PESs, with a ratio of roughly 9:1. Formaldehyde is not made as a primary product, but can be formed via secondary chemistry. The formation of methyl tetraoxide (MTO) from the singlet PES is unimportant. The calculated reaction rate coefficients were found to be practically pressure-independent for p ≤ 760 Torr and can be given by k(T)=2.75×10−13×e+1.75 kcal mol−1/RT (in cm3/s), an expression useful for kinetics modeling over the range T = 200–800 K. The rate constant has a slight negative Arrhenius energy dependence of about −1.75 kcal mol–1, falling about a factor of 30 from 200 K to 800 K.

2DME↗

NASA NTRS1979

Autoignition of hydrogen injected transverse to a supersonic airstream

A parametric study of autoignition characteristics of transverse fuel injector patterns for a hydrogen-fueled, supersonic-combustion ramjet was conducted in direct-connect tests over a range of simulated hypersonic flight conditions. Autoignition limits, defined directly by visual observations and indirectly by measured wall pressure and temperature, are compared with a semi-empirical ignition limit model which accounts for first order effects on autoignition. It is shown that to initiate combustion in the immediate region of the fuel injector, ignition must occur in the separation region ahead of the fuel jet. Autoignition within this separation zone exhibits strong dependence on flow pressure and temperature, injector diameter, local boundary layer energy thickness, wall temperature, and on fluid dynamic interactions with adjacent downstream facing steps (such as inlet isolation steps). Secondary effects are also discussed. The empirical model is used to define limits of test temperature, pressure, and scale required for autoignition in a current subscale engine test program.

Mcclinton, C. R.↗