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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Enabling modern data discovery for atmospheric measurements

The Atmospheric Radiation Measurement (ARM) user facility is a US Department of Energy Office of Science user facility that is managed and operated through a collaborative effort led by nine US Department of Energy national laboratories. The ARM Data Center, located at Oak Ridge National Laboratory, is responsible for the timely collection, processing, and delivery of data products to the scientific community. The ARM Data Center holds more than 11,000 data products, including metadata collected from field campaigns, instruments, value-added products, and principal investigator–contributed data. These data sets are checked for successful transfer (for most data, this transfer is carried out automatically via the network; however, some of the largest data sets and some of the most remote sites require manual shipping of hard disks) and both the data and metadata are processed to a standard format, which is an ARM-standardized structure, via the Network Common Data Form. The Network Common Data Form is a self-describing binary format with many compatible software tools. Once processed, the data are cataloged, stored in the ARM Data Archive, and made discoverable through association with an array of metadata-characterizing information, such as location and measurement classification. These metadata enable powerful search capabilities through the ARM Data Center Data Discovery interface. This paper discusses the workflow of how the new discovery system has been redesigned from user requirements and how the data are distributed to the scientific community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

CFD design-load analysis of a two-body wave energy converter

Wave energy converters (WECs) must survive in a wide variety of conditions while minimizing structural costs, so as to deliver power at cost-competitive rates. Although engineering design and analysis tools used for other ocean systems, such as offshore structures and ships, can be applied, the unique nature and limited historical experience of WEC design necessitates assessment of the effectiveness of these methods for this specific application. This paper details a study to predict extreme loading in a two-body WEC using a combination of mid-fidelity and high-fidelity numerical modeling tools. The mid-fidelity approach is a time-domain model based on linearized potential flow hydrodynamics and the high-fidelity modeling tool is an unsteady Reynolds-averaged Navier–Stokes model. In both models, the dynamics of the WEC power take-off and mooring system have been included. For the high-fidelity model, two design wave approaches (an equivalent regular wave and a focused wave) are used to estimate the worst case wave forcing within a realistic irregular sea state. These simplified design wave approaches aim to capture the extreme response of the WEC within a feasible amount of computational effort. When compared to the mid-fidelity model results in a long-duration irregular sea, the short-duration design waves simulated in CFD produce upper percentile load responses, hinting at the suitability of these two approaches.

16 TIDAL AND WAVE POWER↗
DOE OSTI2017

Dynamic Uniaxial Compression of HSLA-65 Steel at Elevated Temperatures

Here, the dynamic response of a high-strength, low alloy Grade 65 (HSLA-65) steel, used by the United States Navy for ship hull construction, is investigated under dynamic uniaxial compression at temperatures ranging from room temperature to 1000 °C using a novel elevated temperature split-Hopkinson pressure bar. These experiments are designed to probe the dynamic response of HSLA-65 steel in its single α-ferrite phase, mixed α + γ-austenite phase, and the single γ-austenite phase, as a function of temperature. The investigation is conducted at two different average strain rates—1450 and 2100/s. The experimental results indicate that at test temperatures in the range from room temperature to lower than 600 °C, i.e. prior to the development of the mixed α + γ phase, a net softening in flow strength is observed at all levels of plastic strain with increase in test temperatures. As the test temperatures are increased, the rate of this strain softening with temperature is observed to decrease, and at 600 °C the trend reverses itself resulting in an increase in flow stress at all strains tested. This increase in flow stress is understood be due to dynamic strain aging, where solute atoms play a distinctive role in hindering dislocation motion. At 800 °C, a (sharp) drop in the flow stress, equivalent to one-half of its value at room temperature, is observed. As the test temperature are increased to 900 and 1000 °C, further drop in flow stress are observed at all plastic strain levels. In addition, strain hardening in flow stress is observed at all test temperatures up to 600 °C; beyond 800 °C the rate of strain hardening isobserved to decrease, with strain softening becoming dominant at temperatures of 900 °C and higher. Moreover, comparing the high strain rate stress versus strain data gathered on HSLA 65 in the current investigation with those available in the literature at quasi-static strain rates, strain-rate hardening can be inferred. The flow stress increases from 700 MPa at 8 × 10 -4 /s to 950 MPa at 1450/s and then to 1000 MPa at 2100/s at a strain of 0.1. Finally, optical microscopy is used to understand evolution of microstructure in the posttest samples at the various test temperatures employed in the present study.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Replacing liquid fossil fuels and hydrocarbon chemical feedstocks with liquid biofuels from large-scale nuclear biorefineries

Liquid fossil fuels (1) enable transportation and (2) provide energy for mobile work platforms and (3) supply dispatchable energy to highly variable demand (seasonal heating and peak electricity). We describe a system to replace liquid fossil fuels with drop-in biofuels including gasoline, diesel and jet fuel. Because growing biomass removes carbon dioxide from the air, there is no net addition of carbon dioxide to the atmosphere from burning biofuels. In addition, with proper management, biofuel systems can sequester large quantities of carbon as soil organic matter, improving soil fertility and providing other environmental services. In the United States liquid biofuels can potentially replace all liquid fossil fuels. The required system has two key features. First, the heat and hydrogen for conversion of biomass into high-quality liquid fuels is provided by external low-carbon energy sources--nuclear energy or fossil fuels with carbon capture and sequestration. Using external energy inputs can almost double the energy content of the liquid fuel per unit of biomass feedstock by fully converting the carbon in biomass into a hydrocarbon fuel. Second, competing effectively with fossil fuels requires very large biorefineries—the equivalent of a 250,000 barrel per day oil refinery. This requires commercializing methods for converting local biomass into high-density storable feedstocks that can be economically shipped to large-scale biorefineries.

09 - BIOMASS FUELS↗
DOE OSTI2023

Rapid increase in tropospheric ozone over Southeast Asia attributed to changes in precursor emission source regions and sectors

Observations indicate that tropospheric ozone (O 3 ) concentrations over Southeast Asia have been increasing rapidly since the 1990s. Here, we quantify source contributions from geographical regions and emission sectors of the two distinct types of O 3 precursors, i.e., nitrogen oxides (NO x ) and volatile organic compounds (VOCs), to the increase in tropospheric O 3 in Southeast Asia during 1990–2019 using an O 3 source tagging technique implemented in a global chemistry-climate model. In this work, the results show that although local anthropogenic emission of NO x in Southeast Asia only contributes 18% of the annual averaged near-surface O 3 concentration, the increase in local NO x emission dominates the increasing trend of O 3 concentration in Southeast Asia, accounting for 107% of the regional averaged trend of 1.07 ppb decade -1 . Increases in NO x emissions from East Asia and South Asia explain 29% of the increasing trend, but 9% is offset by the emission reduction in North America. Ground transportation is responsible for 79% of the rapid O 3 increase, followed by 39% contribution from international shipping. Because an increase in anthropogenic NO x emissions enhances the O 3 production efficiency by VOCs, the increase in near-surface O 3 concentrations in Southeast Asia is thereby largely contributed by methane and biogenic VOCs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Resource distribution under spatiotemporal uncertainty of disease spread: Stochastic versus robust approaches

We consider the problem of optimizing locations of distribution centers (DCs) and plans for distributing resources such as test kits and vaccines, under spatiotemporal uncertainties of disease spread and demand for the resources. We aim to balance the operational cost (including costs of deploying facilities, shipping, and storage) and quality of service (reflected by demand coverage), while ensuring equity and fairness of resource distribution across multiple populations. We compare a sample-based stochastic programming (SP) approach with a distributionally robust optimization (DRO) approach using a moment-based ambiguity set. Numerical studies are conducted on instances of distributing COVID-19 vaccines in the United States and test kits, to compare SP and DRO models with a deterministic formulation using estimated demand and with the current resource distribution plans implemented in the US. We demonstrate the results over distinct phases of the pandemic to estimate the cost and speed of resource distribution depending on scale and coverage, and show the “demand-driven” properties of the SP and DRO solutions. Furthermore, our results further indicate that if the worst-case unmet demand is prioritized, then the DRO approach is preferred despite of its higher overall cost. Nevertheless, the SP approach can provide an intermediate plan under budgetary restrictions without significant compromises in demand coverage.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

express: Extensible, high-level workflows for swifter ab initio materials modeling

In this work, we introduce an open-source Julia project, express, an extensible, lightweight, high-throughput, high-level workflow framework that aims to automate ab initio calculations for the materials science community. express is shipped with well-tested workflow templates, including structure optimization, equation of state (EOS) fitting, phonon spectrum (lattice dynamics) calculation, and thermodynamic property calculation in the framework of the quasi-harmonic approximation (QHA). It is designed to be highly modularized so that its components can be reused across various occasions, and customized workflows can be built on top of that. Users can also track the status of workflows in real-time, and rerun failed jobs thanks to the data lineage feature express provides. Finally, two working examples, i.e., all workflows applied to lime and akimotoite, are also presented in the code and this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Democratizing life cycle assessment by developing a streamlined model of greenhouse gas emissions from US natural gas supply chains

Natural gas (NG) supply chains contribute substantially to the global energy supply and anthropogenic methane emissions, making them frequent subjects of life cycle assessments (LCAs). To better characterize central tendencies and variability, we systematically reviewed and harmonized published estimates of life cycle greenhouse gas (GHG) emissions from United States NG supply chains. Results informed a streamlined LCA model (SLiNG-GHG: streamlined LCAs of NG-GHGs) that quantifies carbon dioxide and methane from three gates: transmission, distribution, and shipping. Median estimates employing harmonized emission inputs, are 10, 11, and 21 g CO2e/MJ gas (100-year global warming potentials [GWPs]), and 20, 22, and 33 g CO2e/MJ gas (20-year GWPs), delivered to each gate, respectively. Alternatively, inputting available, independent methane measurements, SLiNG-GHG estimates varied from -23% to +316% relative to baseline. Bottom-up inventories used in LCAs tend to underestimate methane compared with measurements. Results underscore the need for open-source, streamlined LCA models that can easily incorporate rapidly evolving measurements for non-experts like investors and regulators.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

A nutrient limitation mosaic in the eastern tropical Indian Ocean

The Indian Ocean accounts for about one fifth of global ocean net primary production but remains undersampled relative to other major ocean basins. The eastern tropical Indian Ocean is characterized by extremely low concentrations of both macronutrients and the micronutrient iron. In this work, we measured concentrations of dissolved and particulate trace metals (Fe, Mn, Zn, Pb) in the upper ocean along the GO-SHIP IO9N transect (28° S to 17° N, mostly along the 95° E meridian) during a cruise in April 2016. Cellular quotas (metal/C) of Fe, Mn, Co, Ni, Cu, and Zn were measured in small eukaryotic flagellates (2-7 μm). Deckboard bottle incubation experiments were conducted at one station in each of three putative biogeochemical regions: southern Indian Ocean gyre (S10, 28-10° S); equatorial Indian Ocean (EqIO, 10° S - 5° N); Bay of Bengal (BoB, 5-17° N). Nitrate and phosphate were below detection limits in surface waters across the transect. Dissolved and particulate Fe were < 0.2 nM south of 10° N and lowest in the EqIO. Cellular Fe/C quotas were approximately 6 μmoL/mol and did not vary along the transect, nor did cellular Mn/C or Co/C quotas. Cellular Ni/C and Zn/C quotas were significantly higher at the southern terminus. Nutrient addition experiments indicated that N was the primary limiting nutrient for autotrophs using chlorophyll $a$ as a proxy, but biomass measurements of specific phytoplankton groups pointed to a more complex nutrient limitation mosaic. Prochlorococcus was limited by N in the EqIO but by multiple nutrients (N, P, and/or Fe) in the BoB. Synechococcus was limited by N in the EqIO and BoB, while small (< 20 μm) eukaryotic phytoplankton were limited by N in the EqIO and by multiple nutrients in the BoB. Stoichiometric comparisons of cells and underlying source waters indicate a gradient of N and Fe stress along the transect. These data demonstrate that autotroph communities are poised near multiple nutrient limitation horizons in extremely oligotrophic waters far from micronutrient sources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Aerosol remote sensing in polar regions

Multi-year sets of ground-based sun-photometer measurements conducted at 12 Arctic sites and 9 Antarctic sites were examined to determine daily mean values of aerosol optical thickness τ(λ) at visible and near-infrared wavelengths, from which best-fit values of Ångström's exponent α were calculated. Analysing these data, the monthly mean values of τ(0.50 μm) and α and the relative frequency histograms of the daily mean values of both parameters were determined for winter–spring and summer–autumn in the Arctic and for austral summer in Antarctica. The Arctic and Antarctic covariance plots of the seasonal median values of α versus τ(0.50 μm) showed: (i) a considerable increase in τ(0.50 μm) for the Arctic aerosol from summer to winter–spring, without marked changes in α; and (ii) a marked increase in τ(0.50 μm) passing from the Antarctic Plateau to coastal sites, whereas α decreased considerably due to the larger fraction of sea-salt aerosol. Good agreement was found when comparing ground-based sun-photometer measurements of τ(λ) and α at Arctic and Antarctic coastal sites with Microtops measurements conducted during numerous AERONET/MAN cruises from 2006 to 2013 in three Arctic Ocean sectors and in coastal and off-shore regions of the Southern Atlantic, Pacific, and Indian Oceans, and the Antarctic Peninsula. Lidar measurements were also examined to characterise vertical profiles of the aerosol backscattering coefficient measured throughout the year at Ny-Ålesund. Satellite-based MODIS, MISR, and AATSR retrievals of τ(λ) over large parts of the oceanic polar regions during spring and summer were in close agreement with ship-borne and coastal ground-based sun-photometer measurements. An overview of the chemical composition of mode particles is also presented, based on in-situ measurements at Arctic and Antarctic sites. Fourteen log-normal aerosol number size-distributions were defined to represent the average features of nuclei, accumulation and coarse mode particles for Arctic haze, summer background aerosol, Asian dust and boreal forest fire smoke, and for various background austral summer aerosol types at coastal and high-altitude Antarctic sites. The main columnar aerosol optical characteristics were determined for all 14 particle modes, based on in-situ measurements of the scattering and absorption coefficients. Diurnally averaged direct aerosol-induced radiative forcing and efficiency were calculated for a set of multimodal aerosol extinction models, using various Bidirectional Reflectance Distribution Function models over vegetation-covered, oceanic and snow-covered surfaces. These gave a reliable measure of the pronounced effects of aerosols on the radiation balance of the surface–atmosphere system over polar regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Thermal effects on geologic carbon storage

One of the most promising ways to significantly reduce greenhouse gases emissions, while carbon-free energy sources are developed, is Carbon Capture and Storage (CCS). Non-isothermal effects play a major role in all stages of CCS. In this paper, we review the literature on thermal effects related to CCS, which is receiving an increasing interest as a result of the awareness that the comprehension of non-isothermal processes is crucial for a successful deployment of CCS projects. We start by reviewing CO 2 transport, which connects the regions where CO 2 is captured with suitable geostorage sites. The optimal conditions for CO 2 transport, both onshore (through pipelines) and offshore (through pipelines or ships), are such that CO 2 stays in liquid state. To minimize costs, CO 2 should ideally be injected at the wellhead in similar pressure and temperature conditions as it is delivered by transport. To optimize the injection conditions, coupled wellbore and reservoir simulators that solve the strongly non-linear problem of CO 2 pressure, temperature and density within the wellbore and non-isothermal two-phase flow within the storage formation have been developed. CO 2 in its way down the injection well heats up due to compression and friction at a lower rate than the geothermal gradient, and thus, reaches the storage formation at a lower temperature than that of the rock. Inside the storage formation, CO 2 injection induces temperature changes due to the advection of the cool injected CO 2 , the Joule-Thomson cooling effect, endothermic water vaporization and exothermic CO 2 dissolution. These thermal effects lead to thermo-hydro-mechanical-chemical coupled processes with non-trivial interpretations. These coupled processes also play a relevant role in “Utilization” options that may provide an added value to the injected CO 2 , such as Enhanced Oil Recovery (EOR), Enhanced Coal Bed Methane (ECBM) and geothermal energy extraction combined with CO 2 storage. If the injected CO 2 leaks through faults, the caprock or wellbores, strong cooling will occur due to the expansion of CO 2 as pressure decreases with depth. Finally, we conclude by identifying research gaps and challenges of thermal effects related to CCS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Biofuels Policies That Have Encouraged Their Production and Use: An International Perspective

This study evaluated the effectiveness of technology-push and market-pull policies in encouraging the production and use of biofuels in 15 countries including major biofuels producers. Biofuels production and consumption data for the 12-year period of 2006-2017 showed that in most of the surveyed countries, biofuels policies played an important role in developing and growing regional and national biofuels markets. Blending mandates continue to be the main market-pull policy used to create and expand biofuels markets. Countries with a mixture of market-pull and technology-push policy instruments have been most successful at increasing biofuels production and use and also developing and deploying less mature advanced biofuels. Most policies have primarily promoted the production and use of biofuels for road transport with key long-distance transport sectors (aviation and shipping) drawing less policy attention despite being significant fuel consumers and carbon emitters. While many older policies were originally developed to promote energy security, more recent policies, such as low carbon fuel standard, have reduction in the carbon intensity of transportation fuels as a primary goal. While policies have been essential in promoting the on-going growth of biofuels, they have not been sufficient to drive the level of development needed to decarbonize the transport sector.

biofuels for transport↗
DOE OSTI2024

Stabilizing a low temperature phase change material based on Glaubers salt

The aim of this research is to enhance the performance of Glauber's salt (sodium sulfate decahydrate, SSD) as a phase change material (PCM) for thermal energy storage applications, as well as for shipping of temperature-sensitive materials. The study investigates the effects of modifying SSD with potassium chloride (KCl) and ammonium chloride (NH 4 Cl) to achieve lower phase transition temperatures of between +6 °C and + 13 °C. Sodium polyacrylate (PAAS) is employed as a thickening agent to prevent phase separation, and borax is used as a nucleating agent to suppress supercooling. Various ratios of KCl:NH 4 Cl are tested, and the impact of PAAS concentration on phase segregation is explored. The results show that a 2 wt% concentration of PAAS effectively prevents phase separation. Samples with a KCl:NH 4 Cl ratio of 1:1.83 exhibit stable phase transition behavior and maintain latent heat values within the range of 130–140 J/g after 30 thermal cycles. Maintaining a total KCl and NH 4 Cl proportion of 10 wt% is crucial to achieve the desired lower melting temperature. As a result, the study highlights the significance of thermal cycling in improving the stability of the PCM. The optimized SSD-based eutectic PCM formulations hold promise for applications in the cold chain industry.

25 ENERGY STORAGE↗
DOE OSTI2023

A study of examiner accuracy in cartridge case comparisons. Part 1: Examiner error rates

This report describes a study undertaken to estimate examiner (not laboratory) error rates for false Identifications and false Eliminations when comparing an unknown to a collection of three known cartridge cases. Volunteer active examiners with Association of Firearm and Toolmark Examiners (AFTE) membership or working in laboratories that participate in the Association of Crime Laboratory Directors (ASCLD) were provided with 15 sets of three known and one questioned cartridge cases fired from a collection of 25 new Ruger SR9 handguns. Remington 9-mm Luger (manufacturer designation L9MM3) ammunition was used and comparison sets were made up of cartridge cases fired within 100 cartridges of each other for each gun. Examiners were provided with a background survey, an answer sheet allowing for the AFTE Range of Conclusions, and return shipping materials. In addition to determining whether the known and questioned cartridge cases were fired with the same handgun, examiners were also asked to assess how many of the three knowns in each set were suitable for comparison, providing an estimated rate of how often each firearm used in the study produces useable, quality marks. The participating examiners were provided with both same-source and different-source comparison sets allowing the study to assess both error rates. Responses were received from 218 participating examiners. The overall rate of false Eliminations was estimated as 0.367% from comparisons known to be from the same firearm but reported as Eliminations. The overall rate of false Identifications was estimated as 1.01% from comparisons known to be from different firearms but reported as Identifications. The rates are not uniform across the sample population with a few examiners providing most of the false Identification responses. Rates of poor-quality mark production varied across the 25 sample handguns; those rates were 2.3% (±1.4%). Both false Elimination and false Identification rates are comparable to or lower than the rate of production of poor-quality marks by the firearms used in this study.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

A study of examiner accuracy in cartridge case comparisons. Part 2: Examiner use of the AFTE range of conclusions

Here, this report describes an analysis of how examiners used the Association of Firearm and Toolmark Examiners (AFTE) Range of Conclusions in a controlled study undertaken to estimate examiner error rates in comparing cartridge cases. Results of the error rate analysis are reported in [1]; this paper focuses on a broader analysis of how the entire collection of classification categories, especially those in the Inconclusive range, were used by the participating examiners. Volunteer active examiners with AFTE membership or working in laboratories that participate in Association of Crime Laboratory Directors (ASCLD) were provided with 15 sets of three known and one questioned cartridge cases fired from a collection of 25 new Ruger SR9 handguns. Remington 9-mm Luger (manufacturer designation L9MM3) ammunition was used and comparison sets were made up of cartridge cases fired within 100 cartridges of each other for each gun. Examiners were provided with a background survey, an answer sheet allowing for the AFTE Range of Conclusions, and return shipping materials. The participating examiners were provided with both same-source and different-source comparison sets allowing the study to assess both error rates. Responses were received from 218 participating examiners. The overall rate of false-negatives was estimated as 0.367 % from comparisons known to be from the same firearm but reported as eliminations. The overall rate of false-positives was estimated as 1.01 % from comparisons known to be from different firearms but reported as identifications. In the case of true different-source examinations, it is clear that the three Inconclusive categories and the Elimination category are not used consistently by all examiners. We identify five different apparent patterns of use of the AFTE Range of Conclusions scale, and discuss possible reasons for and implications of these differences.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Assessment of human nuclear and mitochondrial DNA qPCR assays for quantification accuracy utilizing NIST SRM 2372a

In forensic DNA casework, a highly accurate real-time quantitative polymerase chain reaction (qPCR) assay is recommended per the Scientific Working Group on DNA Analysis Methods (SWGDAM) (SWGDAM Validation Guidelines for DNA Analysis Methods [1]) to determine whether a DNA sample is of sufficient quantity and robust quality to move forward with downstream short tandem repeats (STR) or sequencing analyses. Most of these assays rely on a standard curve, referred to herein and traditionally as absolute qPCR, in which an unknown is compared, relative to that curve. However, one fundamental issue with absolute qPCR is the quantifiable concentration of commercial assay standards can vary depending on (1) origin, i.e., whether from a cell line or a human subject, (2) supplier, (3) lot number, (4) shipping method, etc. In 2018, the National Institute for Standards and Technology (NIST) released a human DNA standard reference material for evaluating qPCR quantification standards, Standard Reference Material (SRM) 2372a, Romsos et al. (2018) [2] which contains three well-characterized human genomic DNA samples: Component A) a single male1 donor, Component B) a single female 1 donor, and Component C) a 1:3 male 2 :female 2 donor, each with certification data for nDNA and informational mitochondrial DNA(mtDNA)/nuclear DNA (nDNA) ratio data. The SRM 2372a was used to assess four qPCR assays: (1) Quantifiler Trio (Thermo Fisher Scientific, Waltham, MA) for nDNA quantification, (2) NovaQUANT (EMD Millipore Corporation, San Diego, CA) for nDNA and mtDNA quantification, (3) a custom duplex mtDNA assay, and (4) a custom triplex mtDNA assay. Additionally, extracts from eighteen (18) skeletal remains were tested with the latter three assays for concordance of DNA concentration and with assays (2) and (3), for the degradation state. Our assessment revealed that an accurate, efficient, and reproducible qPCR assay is dependent on (1) the quality and reliability of the DNA standard, (2) the qPCR chemistry, and (3) the specific primers, and probes (if applicable), used in an assay. Finally, our findings indicate qPCR assays may not always quantify as expected and that performance of each lot should be verified using a well-characterized DNA standard such as the NIST SRM 2372a and adjusted if warranted.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Numerical analysis of particle dispersion and deposition in coal combustion using large-eddy simulation

High-fidelity modeling provides a useful approach to investigate the particle dispersion and deposition mechanism in pulverized coal combustion. To be able to analyze these detailed mechanisms, this work couples detailed multiphysics models for poly-dispersed turbulent, particle-laden flow, particle and gas phase reaction chemistry, convective, conductive and radiative heat transfer, ash formation and deposition with a Large-Eddy Simulation (LES) approach to numerically simulate coal combustion in a downfired self-sustained oxy-fuel combustor (OFC). It is necessary to explicitly capture all but the highest frequency dynamics of the turbulence and its coupling with each of the other physical phenomena using LES. Effects of subgrid-scale unresolved turbulence on the particle motions are also analyzed by a novel Stokes number analysis. Due to the inherent relation ship between coal combustion and ash deposition, this study integrates the improved ash deposition model into the numerical simulation. Overall simulation results are compared with experimentally measured data from the OFC. The simulation and measured data for the averaged gas temperature and deposition rates agree with 5% and 28%. This study shows that high-fidelity LES coupled with other detailed multiphysics models running on a exascale computing facility can provide a good representation of complex coal combustion and deposition in a laboratory-scale furnace.

multiphysics model↗