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DOE OSTI2022

Silicon alloying enhances fast heating rate combustion of aluminum particles

Alloys and composites of aluminum (Al) have shown promise in regulating and enhancing particle combustion for energy generation applications. Recent work on aluminum-silicon (Al-Si) spherical alloy particles has shown improved combustion at low heating rates through enhanced diffusion accompanying a lower melting temperature. This study extends reactivity analysis to higher heating rates, comparing oxidation of Al-Si with Al. Flame speeds of Al-Si powder mixed with molybdenum trioxide (MoO 3 ) powder (Al-Si+MoO 3 ) exhibited a faster transition to steady propagation relative to Al+MoO 3 . Bomb calorimetry experiments revealed up to 5.8% greater early temperature rise for Al-Si powder. Rapid steady propagation for Al-Si mixture and faster temperature rise for Al-Si particles were attributed to accelerated kinetics evidenced in thermal equilibrium analysis of the mixtures using a differential scanning calorimeter (DSC). Larger DSC exotherms in the early stages of oxidation (i.e., 480–720 °C) correlated with early heat release and promoted steady flame propagation for Al-Si+MoO 3 compared with Al+MoO 3 . Furthermore, in multiple heating rate DSC studies, Al-Si+MoO 3 ignited at a lower heating rate (i.e., 15 ⁰C/min) than Al+MoO 3 (i.e., 20 ⁰C/min). Both mixtures ignited at temperatures less than 625 °C which is above the melting temperature of Al-Si (574 °C) and below Al (659 °C). Thus, alloy particle fuels with enhanced diffusion-controlled kinetics promote steady flame propagation and show promise for energy generation applications. This is especially promising for technologies driven by enhanced condensed phase combustion such as some propellant additives or applications dependent on reliable burn rates such as pyrotechnic time delay formulations and primers.

36 MATERIALS SCIENCE↗

DOE OSTI2025

The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement

Alamo is a high-performance scientific code that uses block-structured adaptive mesh refinement to solve such problems as: the ignition and burn of solid rocket propellant, plasticity, damage and fracture in materials undergoing loading, and the interaction of compressible flow with eroding solid materials. Alamo is powered by AMReX, and provides a set of unique methods, models, and algorithms that enable it to solve solid-mechanics problems (coupled to other physical behavior such as fluid flow or thermal diffusion) using the power of block-structured adaptive mesh refinement.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A 2–4 keV multilayer mirrored channel for the NIF Dante system

During inertial confinement fusion experiments at the National Ignition Facility (NIF), a capsule filled with deuterium and tritium (DT) gas, surrounded by a DT ice layer and a high-density carbon ablator, is driven to the temperature and densities required to initiate fusion. In the indirect method, 2 MJ of NIF laser light heats the inside of a gold hohlraum to a radiation temperature of 300 eV; thermal x rays from the hohlraum interior couple to the capsule and create a central hotspot at tens of millions degrees Kelvin and a density of 100–200 g/cm3. During the laser interaction with the gold wall, m-band x rays are produced at ∼2.5 keV; these can penetrate into the capsule and preheat the ablator and DT fuel. Preheat can impact instability growth rates in the ablation front and at the fuel–ablator interface. Monitoring the hohlraum x-ray spectrum throughout the implosion is, therefore, critical; for this purpose, a Multilayer Mirror (MLM) with flat response in the 2–4 keV range has been installed in the NIF 37° Dante calorimeter. Precision engineering and x-ray calibration of components mean the channel will report 2–4 keV spectral power with an uncertainty of ±8.7%.

Rubery, M. S. (ORCID:0000000344152818)↗

DOE OSTI2022

An Investigation into the Surface Skidding Response of PBX 9501 and PBX 9502

While polymer-bonded explosives, PBX, have reduced sensitivity to ignition from mechanical shock or heating compared to conventional explosives, the investigation of the mechanical ignition mechanisms for PBX remains vital to assessing the safety during machining and general handling. Under frictional heating, hot spot generation due to high melting point contaminants in the interface is a suspected source for increased probability of detonation. Here, to investigate such frictional heating, samples of PBX 9501 and PBX 9502 were impacted and skidded against a tangentially moving target and thermally imaged. Temporally resolved temperature and forces were simultaneously measured with and without 300 µm silica grit at the frictional interface. A trend of increasing temperature was observed as the speed and tangential force on the sample increased. Grit particles in the frictional interface were found to act as frictional heat concentration spots owing to the grit's protrusion from the surface and lesser susceptibility to melting compared to the PBX. The coefficient of friction between PBX 9501 and the skidding surface was observed to be largely constant for forces and speeds at the lower end of the test range. In contrast, at high tangential speeds, the coefficient was found to be significantly lower.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Experimental Investigation of Gaseous Mixtures of Ethane, Methane, and Carbon Dioxide as an Alternative to Conventional Fuel in Spark Ignition Engines

This study investigates the viability and performance of certain synthetic fuels in spark ignition internal combustion engine based stationary power generation wherein the fuel comprises a mixture of methane and ethane in high dilutions of carbon dioxide (CO 2 ). The fuel of concern is a byproduct of a novel method for producing ethylene from ethane. The byproduct gas mixture has a concentration of approximately 41% CO 2 , 40% ethane, and 5% methane by weight along with other minor compounds. Varying mixtures of ethane and methane combined with between 42% and 46% by weight CO 2 were used to evaluate the viability and efficiency of this fuel to operate in existing internal combustion engines as a means of reducing emissions and increasing industrial process efficiency. A 13 hp gasoline generator was repurposed as a test stand by incorporating a modified fuel induction system and instrumentation for data collection. A gas metering and mixing system was installed to precisely control the mass flow of gases induced into the engine. Various instrumentations were installed to monitor in-cylinder pressure, temperature at various locations, emissions, and fuel and airflow rates. Varying fuel mixtures and loads were tested and compared to gasoline. It was found that under a high load, the mixed gas was able to generate comparable thermal efficiency and power to gasoline. But under no load or a part load condition the indicated thermal efficiency was found to be about 21% lower than that of gasoline. Further, the mixed gas also resulted in up to 50% reduction in CO and NOx emissions when compared to gasoline.

42 ENGINEERING↗

DOE OSTI2026

Evidence of Free-Bound Transitions in Warm Dense Matter and Their Impact on Equation-of-State Measurements

Warm dense matter (WDM) is now routinely created and probed in laboratories around the world, providing unprecedented insights into conditions achieved in stellar atmospheres, planetary interiors, and inertial confinement fusion experiments. However, the interpretation of these experiments is often filtered through models with systematic errors that are difficult to quantify. Due to the simultaneous presence of quantum degeneracy and thermal excitation, transitions in which free electrons are de-excited into thermally unoccupied bound states transferring momentum and energy to a scattered x-ray photon become viable. Here we show that such free-bound transitions are a particular feature of WDM and vanish in the limits of cold and hot temperatures. The inclusion of these transitions into the analysis of recent X-ray Thomson Scattering experiments on WDM at the National Ignition Facility and the Linac Coherent Light Source is required to obtain a physically consistent temperature from the Chihara decomposition. This interpretation is corroborated by agreement with a recently developed model-free thermometry technique and presents an important step for precisely characterizing and understanding the complex WDM state of matter.

Boehme, M [HZDR Dresden]↗

DOE OSTI2024

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Marinak, M. M. (ORCID:0009000331127696)↗

DOE OSTI2024

Practical low-temperature gasoline combustion for very high efficiency off-road, medium- and heavy-duty engines

Low-temperature gasoline combustion (LTGC) with additive-mixing fuel injection (AMFI) is a new combustion strategy that has been demonstrated to deliver 9%–25% better brake thermal efficiency than similar-sized market-leading diesel engines over the operating map. Moreover, the LTGC-AMFI engine shows near-zero smoke, and NOx emissions are 4–100 times lower than those of a diesel, sufficiently low that no aftertreatment, or only passive NOx aftertreatment, would be sufficient (diesel exhaust fluid is not required). LTGC-AMFI combustion is based on kinetically controlled compression ignition of a dilute charge with a variable amount of low-to-moderate fuel stratification. Fast combustion control is provided by adding minute amounts of an ignition-enhancing additive into the fuel each engine cycle to control its reactivity. This strategy was used to operate a medium-duty (MD) LTGC-AMFI engine at loads from idle to 16.3 bar BMEP and speeds from 600 to 2400 rpm with regular E10 gasoline, which covers nearly the entire operating map of a typical MD engine. Turbine-out temperatures were sufficient for an oxidation catalyst to control hydrocarbon and CO emissions. Autonomie simulations over the GEM ARB Transient and the GEM 55 mph Cruise driving cycles for class-6 trucks using this technology showed fuel economies of 8.1 and 11.4 mpg-gasoline-equivalent, respectively, corresponding to 18.6% and 13.4% improvements over a similar-size diesel engine. Engine-out NOx emissions were 0.024 and 0.01 g/bhp-h, respectively, well below current U.S. emission standards. These results show that switching from diesel to LTGC-AMFI engines would greatly reduce greenhouse gas (GHG) emissions for off-road, MD and HD applications, which will continue to rely on combustion engines because electrification is not practical in the foreseeable future. Finally, with their reduced fuel consumption, the lower cost of gasoline compared to diesel fuel, and much lower aftertreatment costs, LTGC-AMFI engines also offer a significantly lower total cost of ownership.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Flame acceleration and transition to detonation in a pre-/main-chamber combustion system

Numerical simulations are performed to study the mechanism of deflagration to detonation transition (DDT) in a pre-/main-chamber combustion system with a stoichiometric ethylene–oxygen mixture. A Godunov algorithm, fifth-order in space, and third-order in time, is used to solve the fully compressible Navier–Stokes equations on a dynamically adapting mesh. A single-step, calibrated chemical diffusive model described by Arrhenius kinetics is used for energy release and conservation between the fuel and the product. The two-dimensional simulation shows that a laminar flame grows in the pre-chamber and then develops into a jet flame as it passes through the orifice. A strong shock forms immediately ahead of the flame, reflecting off the walls and interacting with the flame front. The shock–flame interactions are crucial for the development of flame instabilities, which trigger the subsequent flame development. The DDT arises due to a shock-focusing mechanism, where multiple shocks collide at the flame front. A chemical explosive mode analysis (CEMA) criterion is developed to study the DDT ignition mode. Preliminary one-dimensional computations for a laminar propagating flame, a fast flame deflagration, and a Chapman–Jouguet detonation are conducted to demonstrate the validity of CEMA on the chemical-diffusive model, as well as to determine the proper conditioning value for CEMA diagnostic. The two-dimensional analysis with CEMA indicates that the DDT initiated by the shock-focusing mechanism can form a strong thermal expansion region at the flame front that features large positive eigenvalues for the chemical explosive mode and dominance of the local autoignition mode. Thus, the CEMA criterion proposed in this study provides a robust diagnostic for identifying autoignition-supported DDT, of which the emergence of excessive local autoignition mode is found to be a precursor. The effect of grid size, initial temperature, and orifice size are then evaluated, and results show that although the close-chamber DDT is highly stochastic, the detonation initiation mechanism remains robust.

42 ENGINEERING↗

DOE OSTI2020

Technology Demonstration of a High-Pressure Swirl Oxy-Coal Combustor

This technical report presents the exploration of the design and prototyping of a High-Pressure Swirl Oxy-coal Combustor. Pressurized oxy-coal combustion systems have the potential to improve efficiency along with an increased carbon capture rate. Reduction of flue gas at higher pressure, smaller system size, and capital cost reductions render high-pressure oxy-coal systems particularly attractive as next-generation energy-producing systems. High-pressure oxy-coal combustion systems are a recent concept, and thus operability issues of combustor designs for such systems are not fully understood. Significant challenges exist to maintain oxy-coal combustion stability at elevated pressure and a high CO 2 diluent environment. Although a body of knowledge exists for high-pressure oxygen combustion in rocket engines (or similar applications), it is yet to be strategized how these fundamental concepts can be translated to low-temperature CO 2 diluent combustion regimes. The realization of the pressurized oxy-coal based systems requires combustor components to be designed and demonstrated for an operating pressure over 10 bar. However, pressurized oxy-coal combustor design information at this pressure range and scale relevant to validate those proposed systems is currently limited. Experimental data from MWth scale oxy-coal combustors are needed to identify the optimal trade-off between net efficiency and systems size. The proposed effort is aimed at demonstrating a 1 MWth down-fired swirl Oxy-Coal combustor and investigate the interrelation between combustor operating conditions (pressure; flame stability; flue gas recirculation ratio) and conversion efficiencies to minimize oxygen requirements. One of the key challenges is to configure burner design (i.e., swirl number and injector) and operating conditions for high-pressure oxy-coal combustion systems. These experiments differ from current systems partly due to the high theoretical flame temperature and related burner operability issues associated with oxy-combustion. An ASPEN PLUS® model study for 550 MWe TIPS and ENEL pressurized oxy-coal systems with CO 2 recirculation was performed to evaluate system design, subsystems sizing, and operating condition determination. The system analysis effort included TRL and technology gap determination of subsystems and critical components. This information was scaled to develop design requirements (design pressure and flue gas recirculation: RR Flue Gas = $\frac{m_{flue}}{m_{total}}$) for the 1 MWth combustor. The effects of a wide range of carbon dioxide recirculation ratios on the thermal efficiency of ENEL and TIPS cycles are studied. The pressure of 10 bar and 80 bar are used for ENEL and TIPS cycles, respectively. The thermal efficiency of ENEL is significantly higher than the efficiency of TIPS at a pressure of less than 10 bar. The insights from system analysis were then used to design a 1 MWth swirl oxy-coal combustor. Flame temperature analysis and material strength analysis was performed to determine the combustor thickness. The structural integrity of the combustor was validated by finite element analysis using Abacus® and Hypermesh®. Feasibility of igniters and secondary burners are investigated in successful high-pressure oxy-methane combustion. The secondary burners are designed in such a way that it can operate between 100 to 500 kW firing input. Three generations of the pintle injector were designed based on swirl numbers (S=0, 0.9, and 1.2). Key pintle injector parameters such as pintle size, pintle orifice size, spray pattern were investigated by cold flow tests. Information from these tests was used to modify injector design for smooth and successful operation. A 5 mm pintle orifice size was decided upon as the optimum size for oxy-coal operation for the combustor. Shadow sizing experiments were performed to identify the atomization rate of each injector. Different coal water slurry mixtures (30 – 50% coal by wt% in the mixture) at various total momentum ratios (TMR) were investigated for this purpose. These experiments provided decisive information to choose the best design of the injector. The injector with 1.2 swirl provided higher atomization in all cases than other designs. The mean equivalent droplet size of the jet was similar at different TMR and mixture ratios using this injector, thus making it suitable for use in most cases. Therefore, the 1.2 swirl-pintle injector was chosen for the shakedown test. The combustor and other sub-systems, including feed systems and control and data acquisition, have been manufactured, assembled, and integrated. The total system integration and installation began on July 1, 2020. The shake-down tests and initial operational capability demonstration are expected to be completed by September 30, 2020.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

Time-dependent density-functional theory study on nonlocal electron stopping for inertial confinement fusion

Understanding laser–target coupling is of the utmost importance for achieving high performance in laser-direct-drive (LDD) inertial confinement fusion (ICF) experiments. Thus, accurate modeling of electron transport and deposition through ICF-relevant materials and conditions is necessary to quantify the total thermal conduction and ablation. The stopping range is a key transport quantity used in thermal conduction models; in this work, we review the overall role that the electron mean free path (MFP) plays in thermal conduction and hydrodynamic simulations. The currently used modified Lee–More model employs various physics approximations. We discuss a recent model that uses time-dependent density functional theory (TD-DFT) to eliminate these approximations in both the calculation of the electron stopping power and corresponding MFP in conduction zone polystyrene (CH) plasma. In general, the TD-DFT calculations showed a larger MFP (lower stopping power) than the standard modified Lee–More model. Using the TD-DFT results, an analytical model for the electron deposition range, λTD−DFT(ρ,T,K), was devised for CH plasmas between ρ=[0.05−1.05] g/cm3, kBT=[100−1000] eV. We implemented this model into LILAC, for simulations of a National Ignition Facility-scale LDD implosion and compared key physics quantities to ones obtained by simulations using the standard model. The implications of the obtained results and the path moving forward to calculate this same quantity in conduction-zone deuterium–tritium plasmas are further discussed, to hopefully close the understanding gap for laser target coupling in LDD-ICF simulations.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Simulation and flow physics of a shocked and reshocked high-energy-density mixing layer

This work describes a computational investigation of multimode instability growth and multimaterial mixing induced by multiple shock waves in a high-energy-density (HED) environment, where pressures exceed 1 Mbar. The simulations are based on a series of experiments performed at the National Ignition Facility (NIF) and designed as an HED analogue of non-HED shock-tube studies of the Richtmyer–Meshkov instability and turbulent mixing. A three-dimensional computational modelling framework is presented. It treats many complications absent from canonical non-HED shock-tube flows, including distinct ion and free-electron internal energies, non-ideal equations of state, radiation transport and plasma-state mass diffusivities, viscosities and thermal conductivities. The simulations are tuned to the available NIF data, and traditional statistical quantities of turbulence are analysed. Integrated measures of turbulent kinetic energy and enstrophy both increase by over an order of magnitude due to reshock. Large contributions to enstrophy production during reshock are seen from both the baroclinic source and enstrophy–dilatation terms, highlighting the significance of fluid compressibility in the HED regime. Dimensional analysis reveals that Reynolds numbers and diffusive Péclet numbers in the HED flow are similar to those in a canonical non-HED analogue, but conductive Péclet numbers are much smaller in the HED flow due to efficient thermal conduction by free electrons. It is shown that the mechanism of electron thermal conduction significantly softens local spanwise gradients of both temperature and density, which causes a minor but non-negligible decrease in enstrophy production and small-scale mixing relative to a flow without this mechanism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Performance, Combustion and Emissions Evaluation of Liquid Phase Port-Injected LPG on a Single Cylinder Heavy-Duty Spark Ignited Engine

Liquefied petroleum gas (LPG), like many other alternative fuels, has witnessed increased adoption in the last decade, and its use is projected to rise as stricter emissions regulations continue to be applied. However, much of its use is limited to dual fuel applications, gaseous phase injection, light-duty passenger vehicle applications, or scenarios that require conversion from gasoline engines. Therefore, to address these limitations and discover the most efficient means of harnessing its full potential, more research is required in the development of optimized fuel injection equipment for liquid port and direct injection, along with the implementation of advanced combustion strategies that will improve its thermal efficiency to the levels of conventional fuels. This paper focuses on the development of a liquid phase port-injection system for LPG, the design of a reference piston, and the baseline evaluation of the performance, combustion, and emissions characteristics of a single cylinder research engine to establish a benchmark comparable to existing LPG engines. A sweep of start of injection (SOI) timing is performed by injecting liquid LPG at several closed and open intake valve timings, which demonstrates no significant variation in engine performance, but accounts for a 10% reduction in bsCO with the optimal SOI timing. Spark timing sweep demonstrates the 50% burn crank angle location related to maximum brake torque (MBT) point with a brake thermal efficiency (BTE) of ~34% for the tested load case. The effect of equivalence ratio is also presented with optimal SOI timing at MBT condition. The engine starts exhibiting knocking combustion at 140kPa intake manifold air pressure (IMAP) with a peak torque of 253Nm and a 5% reduction in brake specific fuel consumption compared to the naturally aspirated scenario.

Fosudo, Toluwalase↗

DOE OSTI2026

Modeling the Effects of Trimethylsilanol on Syngas Combustion Kinetics

A perturbation analysis modeling approach based on a genetic algorithm was used to identify possible reaction pathways to explain previous experimental observations of the strong acceleration of syngas auto-ignition by trimethylsilanol (TMSO). Organosilicon reactions were taken from an existing chemical kinetic mechanism for tetramethylsilane pyrolysis which also contained TMSO reactions. The experimental targets for optimization were ignition delay times and peak OH radical concentrations in the range 1010–1070 K, 5 atm with dilute (4%) ϕ = 0.1 syngas mixtures in N 2 /Ar containing 0, 200, and 1000 ppm TMSO. Hundreds of thousands of trials resulted in three models which accurately predicted the experimental auto-ignition times and peak OH concentrations. Rate of production analyses indicated that TMSO forms dimethylsilanediol, which then reacts creating two “catalytic loops.” The net effect of the loops is to accelerate the reaction H 2 + O = OH + H at a faster effective rate than H 2 /O 2 kinetics alone, thus enhancing the reactivity of syngas. The formation of the loops may be attributable to the high Si–C bond energies in siloxanols, reducing rates of thermal decomposition and allowing dimethylsilanediol to react with H 2 for a longer duration compared with its alkane analog. Here, the results of the current work provide valuable direction for fundamental studies of these new hypothesized reaction pathways.

Mansfield, Andrew B. [Eastern Michigan University,↗

DOE OSTI2023

Laser-direct-drive fusion target design with a high- Z gradient-density pusher shell

Laser-direct-drive fusion target designs with solid deuterium-tritium (DT) fuel, a high-Z gradient-density pusher shell (GDPS), and a Au-coated foam layer have been investigated through both 1D and 2D radiation-hydrodynamic simulations. Compared with conventional low-Z ablators and DT-push-on-DT targets, these GDPS targets possess certain advantages of being instability-resistant implosions that can be high adiabat (α ≥ 8) and low hot-spot and pusher-shell convergence (CR hs ≈ 22 and CR PS ≈ 17), and have a low implosion velocity (v imp < 3 × 10 7 cm/s). Using symmetric drive with laser energies of 1.9 to 2.5 MJ, 1D LILAC simulations of these GDPS implosions can result in neutron yields corresponding to >~50–MJ energy, even with reduced laser absorption due to the cross-beam energy transfer (CBET) effect. Two-dimensional DRACO simulations show that these GDPS targets can still ignite and deliver neutron yields from 4 to ~10 MJ even if CBET is present, while traditional DT-push-on-DT targets normally fail due to the CBET-induced reduction of ablation pressure. If CBET is mitigated, these GDPS targets are expected to produce neutron yields of >20 MJ at a driven laser energy of ~2 MJ. Here are the key factors behind the robust ignition and moderate energy gain of such GDPS implosions are as follows: (1) The high initial density of the high-Z pusher shell can be placed at a very high adiabat while the DT fuel is maintained at a relatively low-entropy state; therefore, such implosions can still provide enough compression ρR >1 g/cm 2 for sufficient confinement; (2) the high-Z layer significantly reduces heat-conduction loss from the hot spot since thermal conductivity scales as ~1/Z; and (3) possible radiation trapping may offer an additional advantage for reducing energy loss from such high-Z targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Efficient turbine engine using integrated ammonia fuel processing

A gas turbine engine includes a core engine that includes a core flow path where air is compressed in a compressor section, communicated to a combustor section, mixed with an ammonia based fuel and ignited to generate a high energy combusted gas flow that is expanded through a turbine section. The turbine section is mechanically coupled to drive the compressor section. An ammonia flow path communicates an ammonia flow to the combustor section. A cracking device is disposed in the ammonia flow path. The cracking device is configured to decompose the ammonia flow into a fuel flow containing hydrogen (H2). At least one heat exchanger is upstream of the cracking device that provides thermal communication between the ammonia flow and a working fluid flow such that the ammonia fluid flow accepts thermal energy from the working fluid flow.

Smith, Lance L.↗

DOE OSTI2020

Effects of Turbulence and Temperature Fluctuations on Knock Development in an Ethanol/Air Mixture

The effects of turbulence on knock development and intensity for a thermally inhomogeneous stoichiometric ethanol/air mixture at a representative end-gas autoignition condition in internal combustion engines are investigated using direct numerical simulations with a skeletal reaction mechanism. Two- and three-dimensional simulations are performed by varying the most energetic length scale of temperature, $l_T$ , and its relative ratio with the most energetic length scale of turbulence, $l_T/l_e$ , together with two different levels of the turbulent velocity fluctuation, $u'$ . It is found that $l_T$ / $l_e$ and the ratio of ignition delay time to eddy-turnover time, $\tau _{ig}/\tau _t$ , are the key parameters that control the detonation development. An increase in either $l_T$ or $l_e$ enhances the detonation propensity by allowing a longer run-up distance for the detonation development. The characteristic length scale of the temperature field, $l_T$ , is significantly modified by high turbulence intensity achieved by a large $l_e$ and $u'$ . The intense turbulence mixing effectively distributes the initial temperature field to broader scales to support the developing detonation waves, thereby increasing the likelihood of the detonation formation. On the contrary, high turbulence intensity with a short mixing time scale, achieved by a small $l_e$ and a large $u'$ , reduces the super-knock intensity attributed to the finer broken-up structures of detonation waves. Either $\tau _{ig}/\tau _t$ less than unity or $l_e = l_T$ even with a large $u'$ is found to have no significant effect on super-knock mitigation. Finally, high turbulent intensity may induce high-pressure spikes comparable to the von Neumann spike. Overall, increased temperature and pressure by combustion heating, noticeably after the peak of heat release rate, significantly enhance the collision and interaction of multiple emerging autoignition fronts near the ending combustion process, resulting in localized high-pressure spikes.

42 ENGINEERING↗

DOE OSTI2025

DME-to-Propane Mixture Effects on a Light Duty Compression Ignition Engine

Fuels that can be produced in a sustainable manner are of high interest because they can provide an essential step toward net zero emissions vehicles. This study examines the combustion of two such fuels, Dimethyl Ether (DME) and propane, in a compression ignition, 4-cylinder, 2.2L engine running with mixtures of DME-to-Propane ranging of 100%-0%, 85%-15%, 75%-25%, and 65%-35% by weight. Testing was conducted at 2000rpm - 100Nm, an important representative point in the FTP certification cycle. For each fuel mixture, conditions tested include sweeps of boost, EGR and injection pressure. Here, tests are mainly conducted at a constant combustion timing with CA10 of -1 deg with respect to TDC, with an engine controller combustion feedback system based on in-cylinder sampling of pressure. Trends of NOx, HC, and CO are similar for the range of DME-to-propane, from 100%-0% to 75%-25%. Boost and injection pressures had the most notable impact on the heat release traces. Higher boost, from stoichiometric to lean resulted in approximately a 3-5% increase on cycle efficiency. Fuel injection pressures resulted in about 1% gain per 200bar. Results also illustrated that EGR is effective in reducing NOx but causes notable degradation of cycle efficiency. The emissions for DME-propane mixtures with 65%-35% had a different trend, with CO and HC exceeding the runs with lower propane content by 2 to 3-fold. As propane content increases, the pressure rise rates become higher, and with 65%-35% mixtures, rates easily exceed 12bar/deg. The increased rise rates correlate with early injection timings but the rates can be reduced, with higher boost and lower injection pressures. The result of the approach, however, leads to lower thermal efficiencies, decreasing efficiency by over 5% between neat DME and the highest propane ratios.

Combustion and combustion processes↗