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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Laboratory Evaluation of the Thermal Breakout Method for Maximum Horizontal Stress Measurement

Measuring in situ stress is essential for many problems in geomechanics, and the maximum horizontal stress is the most difficult to constrain. We are developing an extension of the breakout method to measure maximum horizontal stress in regions where natural breakouts do not occur. In the novel thermal breakout method, additional compression which leads to breakout development is induced by heating the borehole wall. In the present study, we validated the method experimentally in a true-triaxial apparatus on samples with predrilled boreholes. Two rocks were selected for laboratory testing: high-porosity Berea sandstone and low-porosity Niagaran dolomite. Prior to main true-triaxial tests, we carried out standard testing to characterize the strength, elasticity and thermal properties. The true-triaxial experiments consisted of: (1) room-temperature tests where samples were first loaded mechanically until the breakout formed, and (2) elevated-temperature tests where samples were loaded mechanically within the elastic range with additional compression induced thermally. Breakout initiation was monitored by acoustic emission sensors mounted on the pistons that applied horizontal stresses. Furthermore, the magnitude of induced thermal stress was calculated from temperature measurements around the borehole wall. In both rock types, we created thermally induced breakouts and examined analytical expressions to constrain maximum horizontal stress based on strength, elastic and thermal properties of the rocks.

58 GEOSCIENCES↗
DOE OSTI2018

Using tracer-derived groundwater transit times to assess storage within a high-elevation watershed of the upper Colorado River Basin, USA

Previous watershed assessments have relied on annual baseflow to evaluate the groundwater contribution to streams. To quantify the volume of groundwater in storage, additional information such as groundwater mean transit time (MTT) is needed. This study determined the groundwater MTT in the West Fork Duchesne watershed in Utah (USA) with lumped-parameter modeling of environmental tracers (SF{sub 6}, CFCs, and {sup 3}H/{sup 3}He) from 21 springs. Approximately 30% of the springs exhibited an exponential transit time distribution (TTD); the remaining ~70% were best characterized by a piston-flow TTD. The flow-weighted groundwater MTT for the West Fork watershed is about 40 years with approximately 20 years in the unsaturated zone. A cumulative distribution of these ages revealed that most of the groundwater is between 30 and 50 years old, suggesting that declining recharge associated with 5–10-year droughts is less likely to have a profound effect on this watershed compared with systems with shorter MTTs. The estimated annual baseflow of West Fork stream flow based on chemical hydrograph separation is ~1.7 × 10{sup 7} m{sup 3}/year, a proxy for groundwater discharge. Using both MTT and groundwater discharge, the volume of mobile groundwater stored in the watershed was calculated to be ~6.5 × 10{sup 8} m{sup 3}, or ~20 m thickness of active groundwater storage and recharge of ~0.09 m/year (assuming porosity = 15%). Future watershed-scale assessments should evaluate groundwater MTT, in addition to annual baseflow, to quantify groundwater storage and more accurately assess watershed susceptibility to drought, groundwater extraction, and land-use change.

58 GEOSCIENCES↗
DOE OSTI2023

Influence of Molybdenum on Rapid Solidification Microstructure and Microsegregation in Primary Ferrite Solidified Stainless Steel

Due to the widespread use and familiarity of austenitic stainless steels in many industries these alloys are often the first materials used when adapting new processing techniques. The rapid cooling and solidification rates that occur during fusion based additive manufacturing processes like powder bed fusion cause a fundamental shift in the solidification behavior of the material. While the effects that Cr and Ni have on the microstructure have been fairly well documented across a range of solidification conditions, the impact of alloying elements like Mo are not as well understood at rapid solidification rates. For this study, four custom stainless steel alloy feedstocks were made with targeted modification of the Cr and Mo concentrations to maintain a constant Cr/Ni eq ratio of ~1.7. Two-piston splat quenching was used to produce rapidly solidified samples and the solidification mode, phase, and cell size were investigated. Solidification rates were estimated to be between 0.4 and 1.5m/s. A comparison of the microsegregation and partitioning behavior of Cr, Ni and Mo in ferrite solidified material was also performed for the different alloy compositions. Variations of the Mo concentration between each feedstock showed no measurable influence on the solidification/cooling rates, solidification morphology, or the partitioning of Mo. Furthermore, higher concentrations of Mo were found to significantly increase the amount of ferrite phase in the microstructure by suppressing the ferrite to austenite massive transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nanostructured CVD Tungsten Carbide Coating on Aircraft Actuators and Gearbox Shafts Reduces Oil Leakage and Improves Durability

Wear and corrosion of aircraft actuator parts, helicopter gearbox rotating shafts and wear of seals working against these parts can lead to oil leaks which require expensive maintenance and increase the risk of failure. The Hardide® nanostructured chemical vapor deposition (CVD) Tungsten Carbide coating was tested on metal parts working against seals as an approach to reduce oil leakage from gearboxes and actuators and increase maintenance intervals. The coating protects metal pistons and shafts from abrasion and corrosion, keeping their surface roughness parameters within optimum ranges for longer; this reduces seal wear and makes the whole unit more durable and reliable. The 50-100 micron-thick CVD Hardide coating can be applied uniformly on internal and external surfaces and has enhanced fatigue and anti-galling properties. The coating has high wear resistance outperforming Hard Chrome by 14 times and Thermal Spray WC-Co (12%) by three times. The fine-grain coating nanostructure wears uniformly so even worn Hardide coating shows no hard micro-grain asperities which are abrasive for seals. The coating is free from porosity and from Cobalt binder and is an effective barrier against corrosion. As a result the coating keeps the optimal seal-friendly surface finish for longer even in abrasive and corrosive environments. The coating was qualified by Airbus as an environmentally friendly replacement for Hard Chrome plating.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructural Analysis and Transport Properties of Thermally Sprayed Multiple-Layer Ceramic Coatings

In this paper, multilayer, graded ceramic/metal coatings were prepared by an air plasma spray method on Ti-6Al-4V, 4140 steel and graphite substrates. The coatings were designed to provide thermal barriers for diesel engine pistons to operate at higher temperatures with improved thermal efficiency and cleaner emissions. A systematic, progressive variation in the mixture of yttria-stabilized zirconia and bondcoat alloys (NiCoCrAlYHfSi) was designed to provide better thermal expansion match with the substrate and to improve thermal shock resistance and cycle life. Heat transfer through the layers was evaluated by a flash diffusivity technique based on a model of one-dimensional heat flow. The aging effect of the as-sprayed coatings was captured during diffusivity measurements, which included one heating and cooling cycle. The hysteresis of thermal diffusivity due to aging was not observed after 100-h annealing at 800 °C. The measurements of coatings on substrate and freestanding coatings allowed the influence of interface resistance to be evaluated. Finally, the microstructure of the multilayer coating was examined using scanning electron microscope and electron probe microanalysis.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effectiveness of supercritical-CO 2 and N 2 huff-and-puff methods of enhanced oil recovery in shale fracture networks using microfluidic experiments

Current oil recovery methods in hydraulically fractured shale reservoirs have a low recovery efficiency of about 10%. The objective of this work is to investigate the effectiveness of nitrogen and supercritical carbon dioxide in the huff-and-puff method for enhanced oil recovery as a means to re-energize reservoirs and improve recovery rates. Here, we conduct direct visualization experiments with a microfluidic system to reveal the mechanisms and to quantify the recovery rates of oil from fracture networks. We compared the effectiveness of water, nitrogen and supercritical carbon dioxide at reservoir conditions in a process mimicking the huff-and-puff method in both dead-end and connected fracture systems. The microfluidic chips were made of glass and placed in a confining pressure system pressurized to 10 MPa, 50 °C. The system was allowed to equilibrate, and then depressurized to simulate huff-and-puff oil recovery. Fluorescence microscope images were continuously taken to visualize and calculate residual oil saturation as a function of pressure drawdown. As the system was depressurized from 10 MPa, gas exsolution from the oil liquid phase, including bubble nucleation, growth, and coalescence, appeared to be the main driver for mobilizing oil from the fracture networks. Injection of supercritical CO 2 resulted in the highest recovery rate with an average end-point recovery of about 90% in the connected fracture network and 60% in the dead-end fracture network. N 2 has lower solubility in oil and hence showed a lower recovery rate of 40% in the connected fracture network and 25% in the dead-end fracture network. Injection of water had no effect on oil mobilization since water is insoluble, immiscible and incompressible. The main mechanism of enhanced recovery was gas exsolution from the liquid phase as pressure was decreased below the bubble point pressure. Because the gas was distributed throughout the oil phase, bubble nucleation, growth, coalescence, and elongation occurred throughout the fracture network. Expansion of the gas forced oil out of the network through piston displacement in continuous oil areas and film flow in the dispersed oil areas. Bubbles began as spheres and grew until they touched the fracture walls where they elongated along the fracture length. The bubble growth rate depended on local mass transfer from liquid to gas phase and gas volume expansion due to pressure drop. The efficiency of the huff-and-puff process is dependent on the solubility and miscibility of the injection fluid with oil. High gas solubility allows for more bubble nucleation, growth and expansion during the depressurization cycle.

58 GEOSCIENCES↗
DOE OSTI2018

Low pressure direct injection strategies effect on a small SI natural gas two-stroke engine’s energy distribution and emissions

This paper examines methods to simultaneously improve efficiency and reduce emissions from a 34 cc air-cooled two-stroke engine configured to operate on natural gas, using tuned intake plus exhaust resonators designed from Helmholtz resonance theory to promote effective scavenging. The engine was developed for novel application in a small, free piston engine for decentralized power generation. Operation occurred at wide-open-throttle at a speed of 5400 RPM for both port injection (PI) and low-pressure direct injection (LPDI). In both cases, the electronic ignition timing was adjusted for maximum brake torque, while the fuel was adjusted such that both rich and lean combustion were examined. The LPDI engine was then operated over a variety of engine speeds. An energy balance was completed for both PI and LPDI operation, which quantified all energy pathways, as engine operating regimes changed. Results showed that exhaust chemical energy (ECE) for LPDI was reduced significantly when compared to PI, mostly due to less fuel slip. The fuel slip rate ranged from 35 to 40% for PI operation while it was in the range of 6–20% for LPDI operation. However, mixture stratification with LPDI operation increased carbon monoxide emissions. The start-of-injection (SOI) was also examined, targeting a SOI to provide the highest trapping efficiency and most stable combustion. For LPDI operation, trapping efficiency, which is function of engine speed, showed significant effects on overall efficiency and fuel slip. Air volumetric efficiency increased due to the absence of gaseous fuel within the intake manifold. It was shown that, relative to PI, the overall engine indicated efficiency increased by 90% to a maximum indicated efficiency of 30% for LPDI operation with a SOI of 180 CAD BTDC.

42 ENGINEERING↗
DOE OSTI2023

Experimental investigation of a reverse osmosis desalination system directly powered by wave energy

Powering desalination processes with renewable energy is a promising solution to address the global issue of water shortage with minimum carbon footprint and environmental impact. Here, we experimentally investigate a sustainable reverse osmosis (RO) desalination system directly powered by wave energy. In this system, seawater is pressurized and pumped to a RO desalination module via a piston pump directly driven by an oscillating surge wave energy converter (OSWEC). An accumulator is adopted on the feed inlet to mitigate the pressure fluctuations under time-varying ocean conditions. Meanwhile, a needle valve on the brine outlet is used to adjust the system pressure and water recovery. A 1:10 scaled model was designed, fabricated, and tested in a wave tank based on the Froude scaling law. Further, the optimal specific water productivity (SWP) obtained in the tank tests with 3.5 g/L feed salinity was 2.23m 3 /kWh, indicating a full-scale specific water productivity of 0.22m 3 /kWh for 35g/L seawater salinity. The influence of needle valve tuning on the specific water productivity was experimentally investigated and analyzed. Under a specific operational condition, tuning this valve improved specific water productivity by about 17% and reduced the system pressure by 24%, thereby avoiding extreme pressure and improving the system’s capability. This pilot study demonstrates that ocean wave energy is a promising source to sustainably power reverse osmosis desalination and provide freshwater water for coastal regions.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Robust foil regenerator flow loss and heat transfer tests under oscillating flow condition

A regenerator works as an energy storage component in a Stirling engine. Thus, it is one of the most critical components that makes the Stirling engine highly efficient. Traditionally, the regenerators are made of wire media such as woven screens and random fibers. These wire regenerators experience considerably high flow losses through the regenerator due to the flow separation and the resulting vortices. The high flow losses associated with the flow separation and vortices result in a lower engine efficiency. This research is to test a new robust foil regenerator to investigate its feasibility for free-piston Stirling engine applications. The robust foil regenerator is configured with parallel flow channels and stiffening ribs. Comparing to complex flows patterns in woven screen and random fiber regenerators, the flows in the parallel plates are simple and the flow losses are considerably small, and the heat transfer coefficient is also relatively small. To test the regenerator experimentally, a regenerator test rig was manufactured. To verify the accuracy of the test rig, a woven screen regenerator was made and tested prior to the robust foil regenerator test. The friction factor correlation of the woven screen regenerator shows a good agreement with the published regenerator correlations. The robust foil regenerator tests were conducted under the oscillating flow condition with different Reynolds numbers. The flow losses were measured with dynamic pressure transducers and the friction coefficient was derived from measured pressure drop. The measured temperature difference over the regenerator was used to calculate the heat transfer coefficient and Nusselt number. The figure of merit with two methods of NPH/NTU ratio and j/f ratio was calculated to evaluate the suitability of the robust foil regenerator. The results show that the robust foil regenerator has considerably higher figure of merit and therefore, better performance than other types of regenerator.

42 ENGINEERING↗
DOE OSTI2019

Nitrogen diffusion in silicate minerals, with implications for nitrogen transport and cycling in the lithosphere

Diffusion laws for nitrogen in orthoclase, quartz, olivine and clinopyroxene were determined using a combination of experimental strategies that included: in-diffusion from C-H-O-N vapor; in-diffusion from molten NH 4 Cl; and ion implantation followed by heating to mobilize N. Most experiments were conducted at pressures near 1 bar, but seven experiments were also run in a piston-cylinder device at P total = 1 GPa. The C-H-O-N-source experiments were “wet” (H 2 O present); those on ion-implanted samples were dry. All N sources were highly enriched in 15 N to avoid spurious 14 N signals resulting from surface contamination. Use of 15 N also enabled depth profiling by nuclear reaction analysis (NRA) using the 15 N(p,αγ) 12 C reaction, which has a detection limit of ~10 ppm. Nitrogen profiles in three samples were characterized by both NRA and SIMS, with similar results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A higher-order Lagrangian discontinuous Galerkin hydrodynamic method for solid dynamics

We present a new multidimensional high-order Lagrangian discontinuous Galerkin (DG) hydrodynamic method that supports hypoelastic and hyperelastic strength models for simulating solid dynamics with higher-order elements. We also present new one-dimensional test problems that have an analytic solution corresponding to a hyperelastic–plastic wave. A modal DG approach is used to evolve fields relevant to conservation laws. These fields are approximated high-order Taylor series polynomials. The stress fields are represented using nodal quantities. The constitutive models used to calculate the deviatoric stress are either a hypoelastic–plastic, infinitesimal strain hyperelastic–plastic, or finite strain hyperelastic–plastic model. These constitutive models require new methods for calculating high-order polynomials for the velocity gradient and deformation gradient in an element. The plasticity associated with the strength model is determined using a radial return method to with a J 2 yield criterion and perfect plasticity. The temporal evolution of the governing equations is achieved with the total variation diminishing Runge–Kutta (TVD RK) time integration method. A diverse suite of 1D and 2D test problems are calculated. Here, the new 1D piston test problems, which have analytic solutions for each elastic–plastic model, are presented and calculated to demonstrate the stability and formal accuracy of the various models with the new Lagrangian DG method. 2D test problems are calculated to demonstrate the stability and robustness of the new Lagrangian DG method on multidimensional problems with high-order elements, which have faces that can bend.

42 ENGINEERING↗
DOE OSTI2014

Direct Numerical Simulations of Autoignition in Stratified Dimethyl-ether (DME)/Air Turbulent Mixtures

In our paper, two- and three-dimensional direct numerical simulations (DNS) of autoignition phenomena in stratified dimethyl-ether (DME)/air turbulent mixtures are performed. A reduced DME oxidation mechanism, which was obtained using rigorous mathematical reduction and stiffness removal procedure from a detailed DME mechanism with 55 species, is used in the present DNS. The reduced DME mechanism consists of 30 chemical species. This study investigates the fundamental aspects of turbulence-mixing-autoignition interaction occurring in homogeneous charge compression ignition (HCCI) engine environments. A homogeneous isotropic turbulence spectrum is used to initialize the velocity field in the domain. Moreover, the computational configuration corresponds to a constant volume combustion vessel with inert mass source terms added to the governing equations to mimic the pressure rise due to piston motion, as present in practical engines. DME autoignition is found to be a complex three-staged process; each stage corresponds to a distinct chemical kinetic pathway. The distinct role of turbulence and reaction in generating scalar gradients and hence promoting molecular transport processes are investigated. Then, by applying numerical diagnostic techniques, the different heat release modes present in the igniting mixture are identified. In particular, the contribution of homogeneous autoignition, spontaneous ignition front propagation, and premixed deflagration towards the total heat release are quantified.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2015

Understanding fuel anti-knock performances in modern SI engines using fundamental HCCI experiments

Modern spark-ignition (SI) engine technologies have considerably changed in-cylinder conditions under which fuel autoignition and engine knock take place. In this paper, fundamental HCCI engine experiments are proposed as a means for characterizing the impact of these technologies on the knock propensity of different fuels. In particular, the impacts of turbocharging, direct injection (DI), and downspeeding on operation with ethanol and gasoline are investigated to demonstrate this approach. Results reported earlier for ethanol and gasoline on HCCI combustion are revisited with the new perspective of how their autoignition characteristics fit into the anti-knock requirement in modern SI engines. For example, the weak sensitivity to pressure boost demonstrated by ethanol in HCCI autoignition can be used to explain the strong knock resistance of ethanol fuels for turbocharged SI engines. Further, ethanol's high sensitivity to charge temperature makes charge cooling, which can be produced by fuel vaporization via direct injection or by piston expansion via spark-timing retard, very effective for inhibiting knock. On the other hand, gasoline autoignition shows a higher sensitivity to pressure, so only very low pressure boost can be applied before knock occurs. Gasoline also demonstrates low temperature sensitivity, so it is unable to make as effective use of the charge cooling produced by fuel vaporization or spark retard. These arguments comprehensively explain literature results on ethanol's substantially better anti-knock performance over gasoline in modern turbocharged DISI engines. Fundamental HCCI experiments such as these can thus be used as a diagnostic and predictive tool for knock-limited SI engine performance for various fuels. As a result, examples are presented where HCCI experiments are used to identify biofuel compounds with good potential for modern SI-engine applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

The role of spray-enhanced swirl flow for combustion stabilization in a stratified-charge DISI engine

Implementing spray-guided stratified-charge direct-injection spark-ignited (DISI) engines is inhibited by the occurrence of misfire and partial burns. Engine-performance tests demonstrate that increasing engine speed induces combustion instability, but this deterioration can be prevented by generating swirling flow during the intake stroke. In-cylinder pressure-based heat-release analysis reveals that the appearance of poor-burn cycles is not solely dependent on the variability of early flame-kernel growth. Moreover, cycles can experience burning-rate regression during later combustion stages and may or may not recover before the end of the cycle. Thermodynamic analysis and optical diagnostics are used here to clarify why swirl improves the combustion repeatability from cycle to cycle. The fluid dynamics of swirl/spray interaction was previously demonstrated using high-speed PIV measurements of in-cylinder motored flow. It was found that the sprays of the multi-hole injector redistribute the intake-generated swirl flow momentum, thereby creating a better-centered higher angular-momentum vortex with reduced variability. The engine operation with high swirl was found to have significant improvement in cycle-to-cycle variations of both flow pattern and flow momentum. This paper is an extension of the previous work. Here, PIV measurements and flame imaging are applied to fired operation for studying how the swirl flow affects variability of ignition and subsequent combustion phases. PIV results for fired operation are consistent with the measurements made of motored flow. They demonstrate that the spark-plasma motion is highly correlated with the direction of the gas flow in the vicinity of the spark-plug gap. Without swirl, the plasma is randomly stretched towards either side of the spark plug, causing variability in the ignition of the two spray plumes that are straddling the spark plug. Conversely, swirl flow always convects the spark plasma towards one spray plume, causing a more repeatable ignition. The swirl decreases local RMS velocity, consistent with an observed reduction of early-burn variability. Broadband flame imaging demonstrates that with swirl, the flame consistently propagates in multiple directions to consume fuel–air mixtures within the piston bowl. In contrast, operation without swirl displays higher variability of flame-spread patterns, occasionally causing the appearance of partial-burn cycles.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

CFD simulations of Rapid Compression Machines using detailed chemistry: Evaluation of the ‘crevice containment’ concept

The use of creviced pistons in Rapid Compression Machines (RCMs) has proven to be very effcient in making the temperature homogeneous inside the reaction chamber but has the disadvantage of inducing a mass transfer from the reaction chamber to the crevice, especially during the preliminary heat release of two- stage ignition processes. Aiming to mitigate this mass transfer, the technique of `crevice containment' (CC) has been proposed. It consists of a physical separa- tion between the reaction chamber and the crevice region that is engaged at the end of the compression, physically preventing any mass transfer between both parts of the geometry. In order to numerically assess this novel design concept across a broader range of conditions than previously investigated, reactive simu- lations using detailed chemical kinetic mechanisms are performed for n-heptane and iso-octane. For compressed temperatures outside of the NTC (negative temperature coeffcient) region, the CC approach is very effective in suppress- ing the influence of the crevice mass transfer and thus increases the validity of the widely-used 0-D model based on the adiabatic core assumption. Still, for most of the temperature cases inside the NTC region, the ignition appears to be precipitately initiated in the residual vortex region formed after the seal engagement, possibly inducing very significant differences with the 0-D model. The benefits of eliminating the post-compression crevice mass transfer appear to be counter-balanced by effects that have not been previously investigated in detail.

42 ENGINEERING↗
DOE OSTI2018

Low temperature autoignition of 5-membered ring naphthenes: Effects of substitution [Low temperature autoignition study of substituted 5-membered ring naphthenes]

The development and design of future internal combustion engines requires fundamental understanding and the capability to model the autoignition and pollutant formation behavior of petroleum-based and other fuels. Naphthenes are an important constituent of gasoline, and they can comprise larger portions of unconventionally-derived gasoline. There is a lack of data and validated models for 5-membered ring naphthenes. In this work, the autoignition characteristics of cyclopentane, and two of its substituted analogues, methylcyclopentane, and ethylcyclopentane are investigated using a twin-piston rapid compression machine. Each fuel is studied at engine-representative conditions: 20, 50 bar and 700-980K, with mixtures containing stoichiometric fuel/oxygen ratios at various extents of dilution with inert gases. Negative temperature coefficient (NTC) behavior is observed for cyclopentane, though first-stage ignition and associated low temperature heat release behavior are only evident at temperatures below that for the transition to NTC. Pressure is found to have a larger impact on the reactivity than oxygen dilution, with both effects amplified in the NTC region. The cyclopentane experiments in this study are challenged by the sensitivity of this molecule to non-uniform, or mild ignition phenomena within the NTC region. The addition of saturated sidechains in methyl- and ethylcyclopentane significantly increases the reactivity of the molecules, especially at low temperature and NTC conditions. At the highest temperatures though, there is little difference between the three naphthenes. Typical two-stage ignition behavior is observed across a wide range of temperatures for these alkyl cyclopentanes with no mild ignition observed within the NTC region. A recently developed model for cyclopentane is extended to include reactions for methylcyclopentane, and this is used to simulate the new experiments. The simulation results indicate that low temperature reactivity of cyclopentane is dominated by HO 2 elimination of the RO 2 species producing cyclopentene, and this inhibits autoignition since it is a very stable molecule. When a methyl group is substituted on the ring, additional RO 2 isomerization pathways are available, and these substantially increase the fuel reactivity. HO 2 elimination is also important with methylcyclopentane, and this leads to significant production of cyclic olefins which can further react to produce diolefins. Furthermore, these findings are consistent with observations that have been made in other experimental apparatuses.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions

Allene and propyne are important intermediates in the pyrolysis and oxidation of higher hydrocarbon fuels, and they are also a major source of propargyl radical formation, which can recombine into different C 6 H 6 isomers and finally produce soot. In a prior work (Panigrahy et al., “A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne”, Proc. Combust. Inst 38 (2021)), the pyrolysis, ignition , and laminar flame speed of propyne were investigated. To understand the kinetic features of initial fuel breakdown and oxidation of the two C 3 H 4 isomers, new measurements for allene pyrolysis and oxidation are conducted in the present paper at the same operating conditions as those studied previously for propyne. Ignition delay times of allene are measured using a high-pressure shock tube and a heated twin-opposed piston rapid compression machine in the temperature range 690– 1450 K at equivalence ratios of 0.5, 1.0 and 2.0 in ‘air’, and at pressures of 10 and 30 bar. Pyrolysis species measurements of allene and propyne are also performed using a gas chromatography integrated singlepulse shock tube in the temperature range 1000–1700 K at pressure of 2 and 5 bar. Furthermore, laminar flame speeds of allene are measured at elevated gas temperatures of 373 K at pressures of 1 and 2 bar for a wide range of equivalence ratios from 0.6 to 1.5. A newly updated kinetic mechanism developed for this study is the first model that can well reproduce all of the experimental results for both allene and propyne. It is observed that in the pyrolysis process, allene dissociates faster than propyne. Both isomers exhibit similar ignition delay times at high temperatures (>1000 K), while, at intermediate temperatures (770–1000 K) propyne is the faster to ignite, and at lower temperatures (< 770 K) allene becomes more reactive. Furthermore, laminar flame speeds for propyne are found to be slightly faster than those for allene under the conditions studied in this work

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗