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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Enabling Production of Low Carbon Emissions Steel through CO 2 Capture from Blast Furnace Gases at Cleveland Cliffs’ 5 mtpa Steel Plant at Burns Harbor, Indiana

Dastur International Inc. has prepared a DOE-funded Pre-front-end engineering design (Pre-FEED) study to capture up to 2.8 mtpa of CO 2 from the available Blast Furnace (BF) gases at the Burns Harbor steel plant operated by Cleveland Cliffs in Burns Harbor, Indiana. The project consists of an amine solvent based pre-combustion carbon capture system, along with a unique BF gas conditioning process which significantly optimizes the project design and architecture in terms of higher volumes (2.8 mtpa vis-à-vis 1.6 mtpa without conditioning) & concentration (32 vol% in conditioned gas vs. 22% in raw BF gas) of CO 2 , which can be captured using a single train, resulting in reduced size and capital cost of the CO 2 capture island, and improved overall economics on a $\$$/tCO 2 captured basis.

42 ENGINEERING↗
DOE OSTI2025

A Short Survey of Current Reactive Burn Model Capabilities as of Mid-Year 2025

The authors were tasked with writing a concise memo (now a short report) that adequately addresses the current ``state-of-the-art'' in the field of reactive flow modeling and burn models for mid-year 2025, along with identifying some of the modeling gaps. It is assumed that the reader has experience with burn models and running hydrocode simulations, and thus every effort is made to ensure brevity, clarity, and utility, so that this document will serve as a quick and useful reference. Note that “mid-year” was used in the title, as it is possible that advancements in artificial intelligence (AI) may significantly impact the field before the year is over.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Point Cloud Based Mapping of Understory Shrub Fuel Distribution, Estimation of Fuel Consumption and Relationship to Pyrolysis Gas Emissions on Experimental Prescribed Burns

Forest fires spread via production and combustion of pyrolysis gases in the understory. The goal of the present paper is to understand the spatial location, distribution, and fraction (relative to the overstory) of understory plants, in this case, sparkleberry shrub, namely its degree of understory consumption upon burn, and to search for correlations between the degree of shrub consumption to the composition of emitted pyrolysis gases. Data were collected in situ at seven small experimental prescribed burns at Ft. Jackson, an army base in South Carolina, USA. Using airborne laser scanning (ALS) to map overstory tree crowns and terrestrial laser scanning (TLS) to characterize understory shrub fuel density, both pre- and postburn estimates of sparkleberry coverage were obtained. Sparkleberry clump polygons were manually digitized from a UAV-derived orthoimage of the understory and intersected with the TLS point cloud-derived rasters of pre- and postburn shrub fuel bulk density; these were compared in relation to overstory crown cover as well as to ground truth. Shrub fuel consumption was estimated from the digitized images; sparkleberry clump distributions were generally found to not correlate well to the overstory tree crowns, suggesting it is shade-tolerant. Moreover, no relationship was found between the magnitude of the fuel consumption and the chemical composition of pyrolysis gases, even though mixing ratios of 25 individual gases were measured.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Dynamics of Laterally Propagating Flames in X-Ray Bursts. I. Burning Front Structure

We investigate the structure of laterally propagating flames through the highly stratified burning layer in an X-ray burst. Two-dimensional hydrodynamics simulations of flame propagation are performed through a rotating plane-parallel atmosphere, exploring the structure of the flame. We discuss the approximations needed to capture the length and timescales at play in an X-ray burst and describe the flame acceleration observed. Finally, our studies complement other multidimensional studies of burning in X-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Dynamics of Laterally Propagating Flames in X-Ray Bursts. II. Realistic Burning and Rotation

In this work, we continue to investigate two-dimensional laterally propagating flames in type I X-ray bursts using fully compressible hydrodynamics simulations. In the current study we relax previous approximations where we artificially boosted the flames. We now use more physically realistic reaction rates, thermal conductivities, and rotation rates, exploring the effects of neutron star rotation rate and thermal structure on the flame. We find that at lower rotation rates the flame becomes harder to ignite, whereas at higher rotation rates the nuclear burning is enhanced by increased confinement from the Coriolis force and the flame propagates steadily. At higher crustal temperatures, the flame moves more quickly and accelerates as it propagates through the atmosphere. If the temperature is too high, instead of a flame propagating across the surface the entire atmosphere burns uniformly. Our findings could have implications for the relationship between observed burst rise times and neutron star rotation and accretion rates. All of the software used for these simulations is freely available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Intercomparison of biomass burning aerosol optical properties from in situ and remote-sensing instruments in ORACLES-2016

The total effect of aerosols, both directly and on cloud properties, remains the biggest source of uncertainty in anthropogenic radiative forcing on the climate. Correct characterization of intensive aerosol optical properties, particularly in conditions where absorbing aerosol is present, is a crucial factor in quantifying these effects. The southeast Atlantic Ocean (SEA), with seasonal biomass burning smoke plumes overlying and mixing with a persistent stratocumulus cloud deck, offers an excellent natural laboratory to make the observations necessary to understand the complexities of aerosol–cloud–radiation interactions. The first field deployment of the NASA ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) campaign was conducted in September of 2016 out of Walvis Bay, Namibia. Data collected during ORACLES-2016 are used to derive aerosol properties from an unprecedented number of simultaneous measurement techniques over this region. Here, we present results from six of the eight independent instruments or instrument combinations, all applied to measure or retrieve aerosol absorption and single-scattering albedo. Most but not all of the biomass burning aerosol was located in the free troposphere, in relative humidities typically ranging up to 60%. We present the single-scattering albedo (SSA), absorbing and total aerosol optical depth (AAOD and AOD), and absorption, scattering, and extinction Ångström exponents (AAE, SAE, and EAE, respectively) for specific case studies looking at near-coincident and near-colocated measurements from multiple instruments, and SSAs for the broader campaign average over the month-long deployment. For the case studies, we find that SSA agrees within the measurement uncertainties between multiple instruments, though, over all cases, there is no strong correlation between values reported by one instrument and another. We also find that agreement between the instruments is more robust at higher aerosol loading (AOD 400 > 0.4 ).The campaign-wide average and range shows differences in the values measured by each instrument. We find the ORACLES-2016 campaign-average SSA at 500 > nm (SSA 500 ) to be between 0.85 and 0.88, depending on the instrument considered (4STAR, AirMSPI, or in situ measurements), with the interquartile ranges for all instruments between 0.83 and 0.89. This is consistent with previous September values reported over the region (between 0.84 and 0.90 for SSA at 550nm). The results suggest that the differences observed in the campaign-average values may be dominated by instrument-specific spatial sampling differences and the natural physical variability in aerosol conditions over the SEA, rather than fundamental methodological differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Direct and semi-direct radiative forcing of biomass-burning aerosols over the southeast Atlantic (SEA) and its sensitivity to absorbing properties: a regional climate modeling study

Simulations are performed for the period 2000-2015 by two different regional climate models, ALADIN and RegCM, to quantify the direct and semi-direct radiative effects of biomass-burning aerosols (BBAs) in the southeast Atlantic (SEA) region. Different simulations have been performed using strongly absorbing BBAs in accordance with recent in situ observations over the SEA. For the July-August-September (JAS) season, the single scattering albedo (SSA) and total aerosol optical depth (AOD) simulated by the ALADIN and RegCM models are consistent with the MACv2 climatology and MERRA-2 and CAMS-RA reanalyses near the biomass-burning emission sources. However, the above-cloud AOD is slightly underestimated compared to satellite (MODIS and POLDER) data during the transport over the SEA. The direct radiative effect exerted at the continental and oceanic surfaces by BBAs is significant in both models and the radiative effects at the top of the atmosphere indicate a remarkable regional contrast over SEA (in all-sky conditions), with a cooling (warming) north (south) of 10°S, which is in agreement with the recent MACv2 climatology. In addition, the two models indicate that BBAs are responsible for an important shortwave radiative heating of ~0.5-1K per day over SEA during JAS with maxima between 2 and 4 km a.m.s.l. (above mean sea level). At these altitudes, BBAs increase air temperature by ~0.2-0.5 K, with the highest values being co-located with low stratocumulus clouds. Vertical changes in air temperature limit the subsidence of air mass over SEA, creating a cyclonic anomaly. The opposite effect is simulated over the continent due to the increase in lower troposphere stability. The BBA semi-direct effect on the lower troposphere circulation is found to be consistent between the two models. Changes in the cloud fraction are moderate in response to the presence of smoke, and the models differ over the Gulf of Guinea. Finally, the results indicate an important sensitivity of the direct and semi-direct effects to the absorbing properties of BBAs. Over the stratocumulus (Sc) region, DRE varies from +0.94 W m -2 (scattering BBAs) to +3.93 W m -2 (most absorbing BBAs).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Aerosol hygroscopicity over the southeast Atlantic Ocean during the biomass burning season – Part 1: From the perspective of scattering enhancement​​​​​​​

Aerosol hygroscopicity plays a vital role in aerosol radiative forcing. One key parameter describing hygroscopicity is the scattering enhancement factor, f(RH), defined as the ratio of the scattering coefficient at humidified relative humidity (RH) to its dry value. Here, we utilize the f(80 %) from ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) 2016 and 2018 airborne measurements to investigate the hygroscopicity of aerosols, its vertical distribution, its relationship with chemical composition, and its sensitivity to organic aerosol (OA) hygroscopicity over the southeast Atlantic (SEA) Ocean during the biomass burning (BB) season. We found that aerosol hygroscopicity remains steady above 2 km, with a mean f(80 %) of 1.40 ± 0.17. Below 2 km, aerosol hygroscopicity increases with decreasing altitude, with a mean f(80 %) of 1.51 ± 0.22, consistent with higher values of BB aerosol hygroscopicity found in the literature. The hygroscopicity parameter of OA (κ OA ) is retrieved from the Mie model with a mean value of 0.11 ± 0.08, which is in the middle to upper range compared to the literature. Higher OA hygroscopicity is related to aerosols that are more aged, oxidized, and present at lower altitudes. The enhanced biomass burning aerosol (BBA) hygroscopicity at lower altitudes is mainly due to a lower OA fraction, increased sulfate fraction, and greater κ OA at lower altitudes. We propose a parameterization that quantifies f(RH) with chemical composition and κOA based on Mie simulation of internally mixed OA–(NH 4 ) 2 SO 4 –BC mixtures. The good agreement between the predictions and the ORACLES measurements implies that the aerosols in the SEA during the BB season can be largely represented by the OA–(NH 4 ) 2 SO 4 –BC internal mixture with respect to the f(RH) prediction. The sensitivity of f(RH) to κ OA indicates that applying a constant κ OA is only suitable when the OA fraction is low and κ OA shows limited variation. However, in situations deviating these two criteria, κ OA can notably impact scattering coefficients and aerosol radiative effect; therefore, accounting for κ OA variability is recommended.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Biomass burning emission analysis based on MODIS aerosol optical depth and AeroCom multi-model simulations: implications for model constraints and emission inventories

We assessed the biomass burning (BB) smoke aerosol optical depth (AOD) simulations of 11 global models that participated in the AeroCom phase III BB emission experiment. By comparing multi-model simulations and satellite observations in the vicinity of fires over 13 regions globally, we (1) assess model-simulated BB AOD performance as an indication of smoke source–strength, (2) identify regions where the common emission dataset used by the models might underestimate or overestimate smoke sources, and (3) assess model diversity and identify underlying causes as much as possible. Using satellite-derived AOD snapshots to constrain source strength works best where BB smoke from active sources dominates background non-BB aerosol, such as in boreal forest regions and over South America and southern hemispheric Africa. The comparison is inconclusive where the total AOD is low, as in many agricultural burning areas, and where the background is high, such as parts of India and China. Many inter-model BB AOD differences can be traced to differences in values for the mass ratio of organic aerosol to organic carbon, the BB aerosol mass extinction efficiency, and the aerosol loss rate from each model. The results point to a need for increased numbers of available BB cases for study in some regions and especially to a need for more extensive regional-to-global-scale measurements of aerosol loss rates and of detailed particle microphysical and optical properties; this would both better constrain models and help distinguish BB from other aerosol types in satellite retrievals. More generally, there is the need for additional efforts at constraining aerosol source strength and other model attributes with multi-platform observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Undersizing of aged African biomass burning aerosol by an ultra-high-sensitivity aerosol spectrometer

The ultra-high-sensitivity aerosol spectrometer (UHSAS) differs from most other optical particle spectrometers by using a high-power infrared (IR) laser to detect small particles and reduce the sizing ambiguity due to the non-monotonicity of scattering with particle size. During the NASA ORACLES project (ObseRvations of Aerosols above CLouds and their intEractionS) over the southeast Atlantic Ocean, the UHSAS clearly undersized particles in the biomass burning plume extending from southern Africa. Since the horizontal and vertical extent of the plume was vast, the NASA P-3B research aircraft often flew through a fairly uniform biomass burning plume for periods exceeding 30 min, sufficient time to explore the details of the UHSAS response by selecting single particle sizes with a differential mobility analyzer (DMA) and passing them to the UHSAS. This was essentially an in-flight calibration of the UHSAS using the particles of interest. Two modes of responses appeared. Most particles were undersized by moderate amounts, ranging from not at all for 70 nm aerosols to 15 % for 280 nm particles. Mie scattering calculations show that composition-dependent refractive index of the particles cannot explain the pattern. Heating of brown carbon or tarballs in the beam causing evaporation and shrinking of the particles is the most plausible explanation, though mis-sizing due to non-sphericity cannot be ruled out. A small fraction (10 %–30 %) of the particles were undersized by 25 % to 35 %. Those were apparently the particles containing refractory black carbon. Laboratory calibrations confirm that black carbon is drastically undersized by the UHSAS, because particles heat to their vaporization point and shrink. A simple empirical correction equation was implemented that dramatically improves agreement with DMA distributions between 100 and 500 nm. It raised the median particle diameter by 18 nm, from 163 to 181 nm, during the August 2017 deployment and by smaller amounts during deployments with less intense pollution. Calculated scattering from UHSAS size distributions increased by about 130 %, dramatically improving agreement with scattering measured by nephelometers. The correction is only valid in polluted instances; clean marine boundary layer and free troposphere aerosols behaved more like the calibration spheres. We were unable to directly test the correction between 500 and 1000 nm, though aerodynamic particle sizer (APS) data appear to show that the correction is poor at the largest diameters, which is no surprise as the composition of those particles is likely to be quite different than that of the accumulation mode. This adds to the evidence that UHSAS data must be treated cautiously whenever the aerosol may absorb infrared light. Similar corrections may be required whenever brown carbon aerosol is present.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Findings of the African Combustion Aerosol Collaborative Intercomparison Analysis (ACACIA) Pilot Project to Understand the Optical Properties of Biomass Burning Smoke

Africa is a critical source of biomass burning (BB) aerosols, and its importance is increasing. The African Combustion Aerosol Collaborative Intercomparison Analysis (ACACIA) Pilot Project set to optically characterize BB aerosol generated from sub-Saharan African fuels. We used a photoacoustic spectrometer as a reference instrument to determine the multiple-scattering correction factor C λ for an AE33 aethalometer at three wavelengths, which produced weighted mean values of C 370 =3.69, C 470 =5.65, and C 520 =6.39. C λ increased with wavelength and C 370 was statistically independent of the others, suggesting a single C λ is insufficient, especially in BB scenarios. While a dependence of C λ on burning state was not found, C λ was shown to strongly relate to particle single scattering albedo (SSA, ω). When Cλ was plotted against SSA, values slowly rose at low SSA values, followed by a sharp rise around an SSA of ∼ 0.9; indicating a larger correction needed for less absorbing aerosol. A number of functions operating on either SSA or C λ were explored and the best function was -C λ /(1-C λ )=Aω+B. This is an important parametrization of C λ specifically geared towards BB aerosol from African fuels under different aging states, and is of particular importance for future field work in that continent. An Ångström matrix plot shows that African BB aerosol can have values more akin to dust, which demonstrates that these fuels are distinct in their wavelength dependence from more typical BB aerosol. Lastly, we examined the mass extinction and absorbance cross sections for BB aerosol generated for the same fuels with two different tube furnace setups. Not only is this combustion method flexible, it was found to be reproducible between labs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Data accompanying the publication "Sensitivity of grass fires burning in marginal conditions to atmospheric turbulence" in the Journal of Geophysical Research-Atmospheres

Data accompanying Jonko, Yedinak, Conley, and Linn (2021): "Sensitivity of grass fires burning in marginal conditions to atmospheric turbulence", JGR-Atmospheres. LA-UR-21-24832. The following files were generated from simulations performed with Los Alamos National Laboratory coupled atmosphere-fire behavior model FIRETEC v1.3: -area_burned.csv contains the area burned per second in m^2 for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -fire_perimeter.csv containing the fire perimeters in m for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -consumption_per_second.csv containing consumption in kg/s for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -rate_of_spread.csv containing the distance of the fire front from the ignition line in m for 45 CORE simulations, 20 INIT simulations and 20 BOUND simulations (85 columns), and 600 seconds of simulation (600 rows). -CORE1_u_10m_300_sec.hdf, INIT3_u_10m_300_sec.hdf, and BOUND3_u_10m_300_sec.hdf contain u wind speeds at 10 m height for 300 seconds (3D: time, x, y) of simulation for simulations CORE1, INIT3, and BOUND3, respectively. -CORE.final.fuel.density.hdf contains final fuel densities in the surface layer of the model (3D: ensemble member, x, y) for all 45 CORE simulations. -CORE{1-45}_3D_u_120_sec.hdf: 45 files containing vertically and horizontally resolved u winds for 120 seconds of simulation (4D: time, x, y, z) for the 45 CORE ensemble members. For additional information about this data, please contact the corresponding author at ajonko@lanl.gov.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

System for multiple burns from a rocket motor

A system for multiple burns from a solid fuel rocket motor may extinguish rocket fuel after the rocket has been ignited. The motor may be extinguished via rapid decompression of the combustion chamber. The fuel may then be reignited by a suitable igniter, and the process of extinguishing and reigniting may be repeated, enabling multi-burn maneuvers. A decompressive extinguishing plug nozzle may extinguish solid rocket fuel after the rocket has been ignited and/or keep a rocket in a disarmed (zero thrust) state until the rocket is to be armed. The nozzle may include a plug that mostly impedes the opening of the nozzle and an outer cowl that is movable to rapidly decompress the combustion chamber. This rapid decompression extinguishes the solid rocket fuel. In some aspects, the fuel can be reignited and extinguished multiple times.

Dallmann, Nicholas↗
DOE OSTI2023

Unveiling the Morphological and Physical Mechanism of Burn–in Loss Alleviation by Ternary Matrix Toward Stable and Efficient All–Polymer Solar Cells

All–polymer solar cells (All–PSCs) are considered the most promising candidate in achieving both efficient and stable organic photovoltaic devices, yet the field has rarely presented an in–depth understanding of corresponding device stability while efficiency is continuously boosted via the innovation of polymer acceptors. Herein, a ternary matrix is built for all–PSCs with optimized morphology, improved film ductility and importantly, boosted efficiency and better operational stability than its parental binary counterparts, as a platform to study the underlying mechanism. The target system PQM–Cl:PTQ10:PY–IT (0.8:0.2:1.2) exhibits an alleviated burn–in loss of morphology and efficiency under light soaking, which supports its promoted device lifetime. The comprehensive characterizations of fresh and light–soaked active layers lead to a clear illustration of opposite morphological and physical degradation direction of PQM–Cl and PTQ10, thus resulting in a delicate balance at the optimal ternary system. Specifically, the enlarging tendency of PQM–Cl and shrinking preference of PTQ10 in terms of phase separation leads to a stable morphology in their mixing phase; the hole transfer kinetics of PQM–Cl:PY–IT host is stabilized by incorporating PTQ10. Finally, this work succeeds in reaching a deep insight into all–PSC's stability promotion by a rational ternary design, which booms the prospect of gaining high–performance all–PSCs.

14 SOLAR ENERGY↗
DOE OSTI2019

Optical properties and radiative forcing of fractal-like tar ball aggregates from biomass burning

Tar balls are frequently found in slightly aged biomass burning plumes. They are spherical in shape, have diameters between ~100 and 300 nm, are amorphous and composed mostly of oxygen and carbon. Tar balls are light absorbing and considered to be a component of brown carbon. Tar balls have been typically reported and analyzed as individual spheres; however, in a recent study, we reported the presence of significant fractions of fractal-like tar ball aggregates in fire plumes from different geographical locations. Aggregation affects the optical properties of particles; therefore, we use T-Matrix and Lorenz-Mie simulations to explore the effects of aggregation on the tar balls’ optical properties in the 350 – 1150 nm wavelength range. We also evaluate the effects of different index of refraction values available from the literature, different monomer numbers, and monomer sizes, as these are key factors determining the aggregates optical properties. Furthermore, we estimate the direct radiative forcing for low and high surface albedos. The single scattering albedo of aggregates exceed by up to 77% that of individual tar balls. The hemispherical upscatter fraction of tar ball aggregates are more than 100% larger than for individual tar balls in many cases. The top of the atmosphere simple forcing efficiency over dark surfaces shows large variabilities with differences up to ~53% between the tar ball aggregates and individual tar balls. These results demonstrate that aggregation of tar balls can have a significant impact on their optical properties and radiative forcing.

Tar balls, aggregates, brown carbon, biomass burni↗
DOE OSTI2024

Chemical insights into ethyl acetate flames from experiment and kinetic modeling: Laminar burning velocity, speciation and NO$_x$ emission

Oxygenated fuels, such as alcohols, ethers, and esters, are promising alternatives to conventional fuels. These fuels can help reduce detrimental emissions like carbon monoxide and unburned hydrocarbons and enhance octane ratings. Among these oxygenates, ethyl acetate (EA), a small alkyl ester sourced from biomass, emerges as a clean, promising energy carrier. It serves as a surrogate fuel to facilitate investigations into the combustion behaviours of biodiesel. Despite its importance, the literature knowledge of EA combustion characteristics is limited. Therefore, this study aims to broaden the knowledge of the combustion behaviour of this type of oxygenated fuel compound. In this study, we measured the laminar burning velocities of EA by employing a heat flux burner and a closed combustion vessel over the equivalence ratios of 0.7 – 1.7, pressures of 1 – 10 bar and temperatures ranging from 353 – 423 K. Further, we also measured the NOx emissions in exhaust gas of the premixed flames fueled by EA/air for the first time over the equivalence ratio of 0.8 – 1.2. Additionally, we employed a non-premixed counterflow flame setup for extensive characterisation of species and their concentration under diverse conditions encompassing various strain rates and oxygen concentrations. Finally, we utilized these newly measured data to construct and validate a detailed kinetic model developed as part of this work. The newly developed model will help characterize the combustion properties of EA.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Insight into premixed diethoxymethane flames: Laminar burning velocities, temperatures, and emissions behaviour

Diethoxymethane ((CH 3 CH 2 O) 2 CH 2 , DEM) is a promising carbon-neutral fuel. DEM is a diether or acetal with a molecular structure similar to oxymethylene ethers (CH 3 O–(CH 2 O)n–CH 3 , OME n ). Thus, DEM can be expected to have a similar combustion behavior to OMEs, reducing harmful emissions such as NO x and particulate matter (PM) in internal combustion engines. From both experimental and kinetic modeling, fundamental studies on DEM are scarce in the literature. More studies are required to gain a detailed insight into the oxidation kinetics of DEM. Laminar burning velocity (LBV) is a critical property that allows a detailed assessment of the potential application of DEM in combustion devices. Unfortunately, the literature on the LBV of DEM is limited. Therefore, in this study we have investigated the LBV of DEM using two reactors for the first time, namely a heat flux burner and a combustion chamber. The experimental data is reported for equivalence ratio between 0.7 and 1.7, initial temperatures of 368–423 K, and initial pressure of 1–5 bar. In addition, we developed a detailed kinetic model extending our recent work of Shrestha et al. (Combust. Flame. 246 (2022) 112,426) to characterize the combustion behavior of DEM utilizing the new experimental data from this work and the literature data. Our model performs remarkably well in capturing the newly measured LBV experimental data over various experimental conditions. We found that DEM and dimethoxy methane (DMM) have similar values of LBVs (within ±1.5 cm/s) for a given condition, which indicates that intermediate chemistry governs the flame chemistry. Despite DEM being a larger molecule that is expected to have slightly lower LBVs than DMM, its effect on the measured values of LBVs is negligible. Finally, we experimentally measured NO x formation in DEM flame for the first time. The stochiometric flame has the highest NO x formation. The proposed model predicted the equivalence ratio dependence of NO x nicely. However, it overestimates the NO x formation for stoichiometric DEM/air mixtures by ~30 %. The model suggests that the thermal NO formation route is favored at lean and stochiometric conditions. In contrast, the prompt NO formation route is enhanced for rich mixtures.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Using the Black Carbon Particle Mixing State to Characterize the Lifecycle of Biomass Burning Aerosols

The lifecycle of black carbon (BC)-containing particles from biomass burns is examined using aircraft and surface observations of BC mixing state for plume ages from ~15 minutes to 10 days. Because BC is non-volatile and chemically inert, changes in the mixing state of BC-containing particles are driven solely by changes in particle coating, which is mainly secondary organic aerosol (SOA). The coating mass initially increases rapidly (k = 0.84 hr-1), then remains growth relatively constant for 1 to 2 days as plume dilution no longer supports further growth, then decreases slowly until only ~30 % of the maximum coating mass remains after 10 days, (kloss = 0.011 hr-1). The mass ratio of coating-to-core for a BC-containing particle with a 100 nm mass- equivalent diameter BC core reaches a maximum of ~20 after a few hours and drops to ~5 after 10 days of aging. The initial increase in coating mass can be used to determine SOA formation rates. The slow loss of coating material, not captured in global models, comprises the dominant fraction of the lifecycle of these particles. Coating-to-core mass ratios of BC particles in the stratosphere are much greater than those in the free troposphere indicating a different lifecycle.

54 ENVIRONMENTAL SCIENCES↗