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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Novel Catalytic Membrane Reactor for DME Synthesis from Renewable Resources

Production of liquid fuels or chemicals from CO 2 (captured from the air or flue gases) and renewable hydrogen presents a new approach to producing clean fuels domestically. While significant progress has been made in the area of renewable electricity generation from solar and wind, a large gap remains with respect to the production of renewable liquid fuels/chemicals. Other processes for producing liquid fuels/chemicals from renewable electricity are constrained by thermodynamic limitations, making them prohibitively expensive and impractical. The team is overcoming these limitations and developing catalytic membrane reactor processes with high yields and low energy penalties. Supported by the Advanced Research Projects Agency-Energy (ARPA-E) of the US Department of Energy (DOE), GTI Energy and partners have been developing a technology for the production of renewable dimethyl ether (DME) from carbon dioxide (CO 2 ) and renewable hydrogen (H 2 ) using a novel catalytic membrane reactor and demonstration of this system at a scale of 1 kg/day. DME is a clean-burning, non-toxic fuel with a high cetane value (55-60), making it an excellent diesel alternative. DME can be stored as a liquid under moderate pressure, eliminating the need for the high-pressure containers used for CNG or cryogenics, as in the case of LNG. DME is also approved as a renewable fuel under the U.S. Environmental Protection Agency’s Renewable Fuels Standard (RFS), making it eligible for Renewable Identification Numbers (RINs) credits. By producing DME through the catalytic conversion of captured CO 2 and renewable H 2 , this process will produce renewable liquid transportation fuel and a means of large-scale utilization of captured CO 2 . In the DME synthesis process, CO 2 and H 2 are fed to a hollow fiber catalytic membrane reactor at 300-600 psig that contains a bi-functional catalyst that combines two reactions, methanol synthesis (CO 2 + 3H 2 → CH 3 OH + H 2 O) and methanol dehydration (2CH 3 OH → CH 3 OCH 3 + H 2 O), into a one-step process to produce DME. The bifunctional catalyst converts methanol to DME, enabling higher overall CO 2 conversion. A Cu/ZnO/ZrO 2 /Al 2 O 3 (CZZA) catalyst is used for methanol synthesis and is coupled with a zeolite catalyst H-ZSM-5 for dehydration. This one-step process intensifies a process that would otherwise require multiple reaction steps. However, combining these two reactions results in increased water production which inhibits catalytic activity. Here, the Na + -gated, water-transport membrane (Science, vol. 367, pp. 667, 2020), removes water in situ, shifting the thermodynamic equilibrium towards product formation while decreasing kinetic inhibition from water adsorption onto the catalyst surface. The Na + gated, water-transport nanochannel membrane showed H 2 O/CO 2 selectivity of 560 at 250 °C and 300 psig for H 2 O/CO 2 /CO/H 2 /MeOH gas mixtures. The selectivities of H 2 O/H 2 , H 2 O/CO, and H 2 O/MeOH were 190, 170, and 80, respectively. In a laboratory-scale membrane reactor, DME synthesis testing using this membrane, a DME production rate of 440 g DME /kg cat /h was achieved at 260 °C and 550 psig. Compared to the packed bed reactor, the CO 2 conversion and DME production rate in the membrane reactor were 80% and three times higher, respectively. A prototype test system (1 kg/day) was designed, constructed, and tested. A DME production rate of 1.31 kg/day and a DME productivity of 360 g/h/kg were achieved in the prototype membrane reactor. Good stability was demonstrated during 150-h continuous operation and multiple startups/shutdowns tests.

10 SYNTHETIC FUELS↗
NASA NTRS2013

Radiative Forcing of the Direct Aerosol Effect from AeroCom Phase II Simulations

We report on the AeroCom Phase II direct aerosol effect (DAE) experiment where 16 detailed global aerosol models have been used to simulate the changes in the aerosol distribution over the industrial era. All 16 models have estimated the radiative forcing (RF) of the anthropogenic DAE, and have taken into account anthropogenic sulphate, black carbon (BC) and organic aerosols (OA) from fossil fuel, biofuel, and biomass burning emissions. In addition several models have simulated the DAE of anthropogenic nitrate and anthropogenic influenced secondary organic aerosols (SOA). The model simulated all-sky RF of the DAE from total anthropogenic aerosols has a range from −0.58 to −0.02 W m(sup−2), with a mean of −0.27 W m(sup−2 for the 16 models. Several models did not include nitrate or SOA and modifying the estimate by accounting for this with information slightly strengthens the mean. Modifying the model estimates for missing aerosol components and for the time period 1750 to 2010 results in a mean RF for the DAE of −0.35 W m(sup−2). Compared to AeroCom Phase I (Schulz et al., 2006) we find very similar spreads in both total DAE and aerosol component RF. However, the RF of the total DAE is stronger negative and RF from BC from fossil fuel and biofuel emissions are stronger positive in the present study than in the previous AeroCom study.We find a tendency for models having a strong (positive) BC RF to also have strong (negative) sulphate or OA RF. This relationship leads to smaller uncertainty in the total RF of the DAE compared to the RF of the sum of the individual aerosol components. The spread in results for the individual aerosol components is substantial, and can be divided into diversities in burden, mass extinction coefficient (MEC), and normalized RF with respect to AOD. We find that these three factors give similar contributions to the spread in results

Computer simulation↗
NASA NTRS1996

The effects of complex chemistry on triple flames

The structure, ignition, and stabilization mechanisms for a methanol (CH3OH)-air triple flame are studied using Direct Numerical Simulations (DNS). The methanol (CH3OH)-air triple flame is found to burn with an asymmetric shape due to the different chemical and transport processes characterizing the mixture. The excess fuel, methanol (CH3OH), on the rich premixed flame branch is replaced by more stable fuels CO and H2, which burn at the diffusion flame. On the lean premixed flame side, a higher concentration of O2 leaks through to the diffusion flame. The general structure of the triple point features the contribution of both differential diffusion of radicals and heat. A mixture fraction-temperature phase plane description of the triple flame structure is proposed to highlight some interesting features in partially premixed combustion. The effects of differential diffusion at the triple point add to the contribution of hydrodynamic effects in the stabilization of the triple flame. Differential diffusion effects are measured using two methods: a direct computation using diffusion velocities and an indirect computation based on the difference between the normalized mixture fractions of C and H. The mixture fraction approach does not clearly identify the effects of differential diffusion, in particular at the curved triple point, because of ambiguities in the contribution of carbon and hydrogen atoms' carrying species.

Echekki, T.↗
DOE OSTI2024

Summary of Leach-Burn-Leach Round-Robin Test Results

Tristructural isotropic (TRISO) coated particle fuel is of interest to multiple member states associated with the Generation IV International Forum (GIF). Qualification and acceptance testing of TRISO fuel includes the determination of particle defect fractions and impurities in the as-fabricated TRISO fuel particle and/or composited fuel form, which are typically determined using burn-leach (BL) or leach-burn-leach (LBL) analysis methods. A round-robin test focusing on LBL analysis was undertaken by the GIF Very High Temperature Reactor System Fuel and Fuel Cycle Project Management Board. Participating in this LBL round-robin test were research staff from the Institute of Nuclear and New Energy Technology (INET) in the People’s Republic of China, the Korean Atomic Energy Research Institute (KAERI) in the Republic of Korea, and Oak Ridge National Laboratory (ORNL) in the United States of America. The motivation of this LBL benchmarking exercise was to explore consistency in results generated by LBL and to elucidate the potential influence of variations in the procedures used by the participating members on the accurate determination of the measured fuel properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2023

The Extreme Forest Fires in California/Oregon in 2020: Aerosol Optical and Physical Properties and Comparisons of Aged Versus Fresh Smoke

Wildfire activity in the western United States during August to October 2020 was exceptional in terms of the fire severity and area burned. Extremely dry biomass fuels from near historic multi-year drought conditions were further exacerbated with very hot and dry conditions in 2020. These conditions when coupled with strong offshore flow allowed many ignitions to grow into extremely large and severe wildfires. Long-term monitoring at a few AERONET sites in California showed that the number of days with high Aerosol Optical Depth at 440 nm (AOD 440 >1) in 2020 was greater than any other year going back to the beginning of the data records in 2002. A wide range of fine mode particle volume median radii were retrieved from AERONET data over the course of these fires suggesting significant variability in combustion conditions and aging processes. Additionally, the fine mode radii in some of these smoke plumes in 2020 were very large especially at high AOD (∼0.22–0.32 μm volume median radius), likely due to both coagulation and condensation occurring during aging at very high particulate concentrations. The largest fine mode particle radii combined with narrow distributions resulted in some very rare AOD spectra showing peak AOD at 500 nm and decreasing to lower AOD at both shorter and longer wavelengths. The most extreme retrieved size distributions and associated measured AOD spectra were principally observed in long-distance transported smoke plumes from these western United States fires at sites in Colorado, Maryland and Virginia, possibly due to further aging during transport. Additionally, strong absorption was sometimes observed at short wavelengths with much lower single scattering albedo at 440 nm compared to 675 nm in some plumes consistent with significant brown carbon (BrC) and/or coated black carbon (BC) absorption in biomass burning particles. This strong spectral absorption signature observed at some California sites and dates remained similarly strong in some smoke plumes observed at some east coast sites in Maryland and Virginia, thereby suggesting that the lifetime of these particular BrC and/or coated BC absorbing species was greater than 5 days.

Aerosol↗
DOE OSTI2020

Reactor and fuel cycle performance of light water reactor fuel with 235 U enrichments above 5%

Recent advances in nuclear fuel materials research, particularly on the topic of accident-tolerant fuels, have brought up potential opportunities for expanding the operating envelope of existing light water reactors. As many of the performance improvements offered by these technologies may be most fully realized by increasing fuel enrichment beyond the standard 5% limit, this paper examines the potential reactor performance and fuel cycle performance of low-enriched uranium oxide fueled light water reactors by generically considering pressurized water reactors with 235 U enrichment from 5 to 7%. Advanced cladding, including accident-tolerant cladding, has the potential to increase fuel burnup limits related to hydrogen in the cladding that coincide with those limits associated with end-of-life reactivity. Therefore, higher enrichment will be necessary in order to realize the higher fuel burnups. This work includes evaluation of the fuel cycle length, discharge burnup, reactivity coefficients, and fuel cycle performance, including radioactive waste and environmental impact metrics per unit energy generated. The analysis was performed using the evaluation metrics from the US Department of Energy Office of Nuclear Energy Fuel Cycle Evaluation and Screening Study. The reactor performance and safety analysis show that enrichments between 5 and 7% would have similar fuel temperature and moderator temperature coefficients. However, the soluble boron coefficient would decrease in magnitude, requiring more corrosive boric acid in the coolant or other methods of reactivity control during the fuel cycle. At these higher enrichments the maximum burnup at the rim of the fuel pellet would increase by almost a factor of two, which is expected to impact the formation of high-burnup structure in the fuel and the corresponding thermo-mechanical fuel properties. The fuel cycle performance assessment shows that increasing enrichment reduces the quantity of high-level waste disposed per unit energy generated, but it increases the natural resource requirements normalized to a gigawatt-electricity-per-year basis. Another impact is the slightly higher discharge burnup, resulting in somewhat different activity levels of the spent nuclear fuel and high-level waste radioactivity at 100 and 100,000 years after fuel discharge. The environmental impacts—including land use, water use, carbon emission, and radiological exposure—are of the same magnitude per unit energy generated. Finally, however, the impacts are distributed differently. Less than 5% enrichment has marginally more impact on the back-end of the fuel cycle, and greater than 5% enrichment has marginally more impact on the front-end of the fuel cycle. Ultimately, no neutronic or reactor safety hindrances to employing light water reactor fuel with enrichments greater than 5% are identified; given the achievable reactor performance benefits with advanced fuels, further practical exploration of increased enrichment fuel is recommended.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRSDate not supplied

Biomass burning declines lead to large net reductions in NO2 concentrations over north equatorial Africa in spite of growing fossil fuel emissions

Socio-economic development in low and middle-income countries has been accompanied by increased emissions of air pollutants such as nitrogen oxides (NOx: nitrogen dioxide (NO2) + nitric oxide (NO)), which affect human health. In sub-Saharan Africa, fossil fuel combustion has nearly doubled since 2000. At the same time, biomass burning—another important NOx source—has declined in Africa’s northern biomass burning region, attributed to changes in climate and anthropogenic fire management associated with agricultural development. Here we use satellite observations of tropospheric NO2 vertical column densities (VCDs) and burned area to identify NO2 trends and drivers over Africa. Across the northern ecosystems where biomass burning occurs—home to over 350 million people—mean annual tropospheric NO2 VCDs decreased by 4.5% from 2005 through 2017 during the biomass burning season of November through February. Reductions in burned area explained the majority of these change in NO2 VCDs, but there were also weaker relationships between changes in NO2 VCDs and fossil fuel emissions over parts of West Africa, which were stronger during rainy season. Over Africa’s biomass burning regions, NO2 VCDs tended to decrease with increasing population density up to a threshold of approximately 180 people per km2, suggesting that anthropogenic activity causes a net reduction in NO2 emissions across roughly 90% of the continent’s biomass burning regions. In contrast to the widely-held perception that socio-economic development worsens air quality in low and middle-income nations, our results suggest that countries in Africa’s northern biomass burning region are following a different pathway, resulting in regional air quality benefits. However, these benefits may be lost with increasing fossil fuel use.

Biomass burning↗
DOE OSTI2022

Experimental quantification of the impact of heterogeneous mix on thermonuclear burn

In inertial confinement fusion, deuterium–tritium (DT) fuel is brought to densities and temperatures where fusion ignition occurs. However, mixing of the ablator material into the fuel may prevent ignition by diluting and cooling the fuel. MARBLE experiments at the National Ignition Facility provide new insight into how mixing affects thermonuclear burn. These experiments use laser-driven capsules containing deuterated plastic foam and tritium gas. Embedded within the foam are voids of known sizes and locations, which control the degree of heterogeneity of the fuel. Initially, the reactants are separated, with tritium concentrated in the voids and deuterium in the foam. During the implosion, mixing occurs between the foam and gas materials, leading to DT fusion reactions in the mixed region. Here, it is shown that by measuring the ratios of DT and deuterium–deuterium neutron yields for different macropore sizes and gas compositions, the effects of mix heterogeneity on thermonuclear burn may be quantified, supporting an improved understanding of these effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

Brief Communication: A Simplified Approach to Transient Convective Droplet Evaporation and Burning

Empirical correlations for evaporation rates from single fuel droplets have existed since the 1930s. These correlations, which will be referred to in this article as Froessling/Ranz-Marshall types of correlations, are appropriate to the special cases of steady-state evaporation in the absence of chemical reaction. In a previous article by the authors, the quasi-steady evaporation and burning processes associated with a fuel drop in a convective environment are examined through a droplet model based on the boundary layer approach. For droplet Reynolds numbers of practical interest, this model produces very reasonable steady state as well as quasi-time-dependent droplet simulations, requiring relatively short computational times and yielding good agreement with the above-mentioned empirical correlations. The steady-state case, however, is usually relevant to practical combustor situations only when the drop has reached a nearly uniform temperature since the heating process of the drop cannot be considered to be quasi-steady. In the present study, the transient heating process of the droplet interior during evaporation and/or burning is taken into account, and thus calculations pertaining to the entire life-time of the droplet are carried out. It is of particular interest here to obtain simplified correlations to describe the transient behavior of evaporating and burning droplets; these may be incorporated with greater ease into spray calculations. Accordingly, we have chosen to use stagnation conditions in the present model in a modification of the Froessling/Ranz-Marshall correlations. These modified correlations, incorporating an effective transfer number, produce a fairly accurate representation of droplet evaporation and burning, while requiring only one tenth the computational effort used in a full boundary layer solution.

Madooglu, K.↗
DOE OSTI2024

Microphysical properties of atmospheric soot and organic particles: measurements, modeling, and impacts

Atmospheric soot and organic particles from fossil fuel combustion and biomass burning modify Earth’s climate through their interactions with solar radiation and through modifications of cloud properties by acting as cloud condensation nuclei and ice nucleating particles. Recent advancements in understanding their individual properties and microscopic composition have led to heightened interest in their microphysical properties. This review article provides an overview of current advanced microscopic measurements and offers insights into future avenues for studying microphysical properties of these particles. To quantify soot morphology and ageing, fractal dimension ( D f ) is a commonly employed quantitative metric which allows to characterize morphologies of soot aggregates and their modifications in relation to ageing factors like internal mixing state, core-shell structures, phase, and composition heterogeneity. Models have been developed to incorporate D f and mixing diversity metrics of aged soot particles, enabling quantitative assessment of their optical absorption and radiative forcing effects. The microphysical properties of soot and organic particles are complex and they are influenced by particle sources, ageing process, and meteorological conditions. Furthermore, soluble organic particles exhibit diverse forms and can engage in liquid–liquid phase separation with sulfate and nitrate components. Primary carbonaceous particles such as tar balls and soot warrant further attention due to their strong light absorbing properties, presence of toxic organic constituents, and small size, which can impact human health. Future research needs include both atmospheric measurements and modeling approaches, focusing on changes in the mixing structures of soot and organic particle ensembles, their effects on climate dynamics and human health.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Methane storage in flexible and dynamical metal–organic frameworks

Recently, there has been significant interest in methane as an abundant and cleaner burning alternative to fossil fuels. Consequently, the design of media capable of the storage of methane under practical conditions has become an area of significant interest to the scientific community. While metal−organic frameworks have seen pronounced examination for this application, flexible metal−organic framework variants have been little examined despite having tremendous promise for methane storage applications. This work provides an overview of the current state of the art regarding the investigation of these systems for the purpose of providing a baseline for future research.

Forrest, Katherine A.↗
DOE OSTI2024

Verification of a Monte Carlo binary collision model for simulating elastic and inelastic collisions in particle-in-cell simulations

We present the development and verification of a Monte Carlo binary collision model for simulating elastic and inelastic collisions in particle-in-cell simulations. We apply the corrected binary collision model originally developed for charged-particles collisions to all considered scattering channels, including Coulomb collisions, elastic neutral–neutral and charged–neutral collisions, ionization, excitation, and fusion. The model's implementation is described and verified through a series of simulations, including charged- and neutral-particle thermal equilibration, slowing of electrons in warm solid-density aluminum, collisional damping of a Langmuir wave, helium gas breakdown in an applied electric field, and thermonuclear and beam–target fusion. Then, we demonstrate the model within simulations of hydrogen plasma formation in the Princeton Field-Reversed Configuration as well as of the burning of aneutronic fusion fuel p-11B. The latter includes measurement of the fusion power density in a low-density plasma and fusion production due to the stopping of a proton ignitor beam in a compressed boron target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Assessing the performance of MagLIF with 3D MHD simulations

The Magnetized Liner Inertial Fusion (MagLIF) experimental platform at Sandia National Laboratories has realized a number of recent improvements in electrical current and laser preheat coupling but fusion yields are below expectations, based on modeling with clean (that is, simulations with no interfacial instabilities and no mix) two-dimensional (2D) magneto-hydrodynamics (MHD) simulations, by a factor of 5 or more. However, magnetized liner implosions are known to produce helical magneto-Rayleigh–Taylor (MRT) modes and complex stagnation structures that cannot be directly modeled in 2D. This paper presents the results of 3D HYDRA MHD simulations, including helical MRT, showing that degradation from these instabilities can readily reproduce experimental yields, but it is difficult to simultaneously match the yield along with inferred fuel temperature, pressure, and burn history (assessed with x-rays), which are larger in the experiments considered here. Additional analysis methods and future experiments are proposed to help address the discrepancies. The 3D simulations also show, without substantive improvements to stability, changing the applied Bz or preheat is unlikely to increase performance of MagLIF to the same degree as clean 2D simulations. Finally, the first 3D HYDRA simulations with the Hall term show the ab initio production of helical MRT and produce a clear change in stagnation morphology compared to pre-seeded simulations without Hall. In spite of the differences, the simulations still produce comparable fusion performance but with longer, lower power, neutron yield history.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-KS1 Kennedy Space Center (slash pine)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-KS1 Kennedy Space Center (slash pine). This is the FLUXNET version of the carbon flux data for the site US-KS1 Kennedy Space Center (slash pine) produced by applying the standard ONEFlux (1F) software. Site Description - The Kennedy Space Center Slash Pine Flatwoods site is located in the Merritt Island National Wildlife Refuge at the Kennedy Space Center (KSC) on the east coast of central Florida. Occupying 310 ha of local forest, the slash pine flatwoods ecosystem is managed as an uneven-aged stand with a sparsely populated overstory and a dense oak-dominated understory. Disturbances tend to occur on a 7 to 10 year cycle, mostly related to fire or hurricane activity. Prescribed fires have been conducted since 1969 to control understory fuel. The most recent burn was conducted in February of 1995. Following the burn, the stand was allowed to naturally regenerate into a open canopy of slash pines, less than 15% of canopy coverage ( on the order of 15-30 trees per ha), with a understory mostly composed of saw palmetto and scrub oak. There was a seasonally wet swale to the southeast that was on the margin of the flux tower footprint. A severe drought gripped most of Florida beginning in 1998 until the later half of 2001 resulting in four years of relatively low annual precipitation totals. Exceptionally high annual rainfall amounts in 2004 were the result of a pair of hurricanes that hit the area in August and September of 2004. Wind directions for the site are as follows: W and NW in the winter, afternoon E sea breeze in the summer.

Drake, Bert↗
DOE OSTI2019

Proposal for a Fusion Prototype Neutron Source at the Los Alamos Neutron Science Center

This study evaluates a target station at the Los Alamos Neutron Science Center dedicated to the mission of irradiating structural materials in an environment that is nearly prototypic of the radiation environment experienced by the first wall of a magnetically-confined fusion reactor burning D-T fuel. Such a station could be located in the existing Area A experimental hall and be driven by an 800-MeV, 1-MW proton beam delivered by the LANSCE accelerator. A neutronics assessment of a target concept shows it satisfies all of the key parameter guidelines stated in the Summary Report on the Fusion Prototypic Neutron Source Workshop.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Effect of Impurity Atoms on Thermonuclear Yield

The presence of impurity atoms in an inertial confinement fusion (ICF) implosion can greatly affect the burning of the thermonuclear fuel. This is a serious concern for attaining ignition as high atomic number atoms, such as carbon, can mix into the hot spot and reach the deuterium–tritium (DT) fuel, absorb energy from the implosion, and radiate away that energy. The temperature of the DT fuel drops and reduces the reactivity of the fuel resulting in lower thermonuclear yield. Fuel impurities can also be a useful diagnostic as when higher-Z atoms, such as Ar, Kr, and Xe, are purposefully mixed into the fuel. From the spectra emitted by these atoms, the temperature and density of the fuel can be deduced. The long history of using such tracer atoms by the national ICF program shows the great advances in experimental technique, diagnostic instruments, and atomic-physics modeling over the past 50 years. A particular set of experiments, the “High-Z” campaign, is reviewed in depth as this was the most systematic study of tracer element composition and quantity ever reported. Difficulties in interpreting the results of those experiments due to the limited code capabilities at that time are discussed. A main concern for the High-Z campaign was the then current state of non-Local Thermodynamic Equilibrium (nLTE) atomic physics models. The present state of nLTE modeling and its implementation in Los Alamos’s multi-physics codes is discussed in this report. To further the understanding of the complex interaction of high-Z atoms in the gas, a survey of relevant existing experimental platforms at the National Ignition Facility (NIF) and the Omega Laser Facility are presented along with the current state of pertinent diagnostics at NIF and Omega. This review concludes with a discussion of the trade-off available between temperature and volume of the imploded ICF capsule with the goal of maximizing the total yield.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

LES and RANS Spray Combustion Analysis of OME 3-5 and n-Dodecane

Clean-burning oxygenated and synthetic fuels derived from renewable power, so-called e-fuels, are a promising pathway to decarbonize compression–ignition engines. Polyoxymethylene dimethyl ethers (PODEs or OMEs) are one candidate of such fuels with good prospects. Their lack of carbon-to-carbon bonds and high concentration of chemically bound oxygen effectively negate the emergence of polycyclic aromatic hydrocarbons (PAHs) and even their precursors like acetylene (C 2 H 2 ), enabling soot-free combustion without the soot-NO x trade-off common for diesel engines. The differences in the spray combustion process for OMEs and diesel-like reference fuels like n-dodecane and their potential implications on engine applications include discrepancies in the observed ignition delay, the stabilized flame lift-off location, and significant deviations in high-temperature flame morphology. For CFD simulations, the accurate modeling and prediction of these differences between OMEs and n-dodecane proved challenging. This study investigates the spray combustion process of an OME 3 − 5 mixture and n-dodecane with advanced optical diagnostics, Reynolds-Averaged Navier–Stokes (RANS), and Large-Eddy Simulations (LESs) within a constant-volume vessel. Cool-flame and high-temperature combustion were measured simultaneously via high-speed (50 kHz) imaging with formaldehyde (CH 2 O) planar laser-induced fluorescence (PLIF) representing the former and line-of-sight OH* chemiluminescence the latter. Both RANS and LES simulations accurately describe the cool-flame development process with the formation of CH 2 O. However, CH 2 O consumption and the onset of high-temperature reactions, signaled by the rise of OH* levels, show significant deviations between RANS, LES, and experiments as well as between n-dodecane and OME. A focus is set on the quality of the simulated results compared to the experimentally observed spatial distribution of OH*, especially in OME fuel-rich regions. The influence of the turbulence modeling is investigated for the two distinct ambient temperatures of 900 K and 1200 K within the Engine Combustion Network Spray A setup. The capabilities and limitations of the RANS simulations are demonstrated with the initial cool-flame propagation and periodic oscillations of CH 2 O formation/consumption during the quasi-steady combustion period captured by the LES.

CFD↗
NASA NTRS1976

Low pollution combustor designs for CTOL engines - Results of the Experimental Clean Combustor Program

The NASA/Pratt & Whitney Aircraft Experimental Clean Combustor Program is a multi-year, major contract effort. Primary program objectives are the generation of combustor technology for development of advanced commercial CTOL engines with lower exhaust emissions than current aircraft and demonstration of this technology in a full-scale JT9D engine in 1976. This paper describes the pollution and performance goals, Phase I and II test results, and the Phase III combustor hardware, pollution sampling techniques, and test plans. Best results were obtained with the Vorbix concept which employs multiple burning zones and improved fuel preparation and distribution. Substantial reductions were achieved in all pollutant categories, meeting the 1979 EPA standards for NOx, THC, and smoke when extrapolated to JT9D cycle conditions. The Vorbix concept additionally demonstrated the capability for acceptable altitude relight and did not appear to have unsolvable durability or exit temperature distribution problems.

Roberts, R.↗