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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Chemical Reactor Network Modeling of Ammonia Rich-Quench-Lean Combustion Using a Partially Stirred Reactor Approach

Ammonia is a promising alternative to hydrogen with high energy density and favorable storage and transport characteristics. However, low flammability and a propensity for high nitrogen oxide (NO x ) emissions make direct utilization challenging. Recently, two-stage rich-quench-lean (RQL) combustion strategies have shown promise in achieving low NO x emissions with ammonia. In this approach, the rich stage serves to oxidize a portion of the fuel while thermally decomposing as much of the remaining ammonia as possible, generating hydrogen. In the second (lean) stage, air is rapidly introduced, burning out the hydrogen and residual ammonia. Two-stage RQL combustion of ammonia has been investigated in the open literature both experimentally and numerically. In general, idealized chemical reactor network (CRN) models predict NO x concentrations below those of 2D/3D computational fluid dynamics models and experiments. The primary drivers of these discrepancies may be largely attributed to finite rate mixing nonadiabatic operation. The typical CRN model is comprised of a perfectly-stirred-reactor (PSR), followed by a plug-flow-reactor (PFR), meant to represent the flame, and postflame zones, respectively. In the two-stage RQL approach two PSR-PFR networks are arranged sequentially, corresponding to the rich and lean stages, with secondary air injection in between. In the authors' past work, this arrangement has demonstrated the significant sensitivity of exit NO x to the rich stage equivalence ratio, while the amount of secondary air injection was shown to be less critical. In this paper, the CRN model is extended to (1) include the impacts of heat loss and (2) utilize a partially-stirred-reactor (PaSR) approach to study the impacts of mixing on emissions performance. Varying amounts of heat loss are applied to the rich relaxation zone to understand emissions performance and changes to optimization of equivalence ratio and residence time. Premixed and nonpremixed configurations are considered in the rich stage PaSR, with varying degrees of mixing intensity to study the interaction between mixing, transport, and kinetic timescales. Critically, the impact of mixing between hot products and secondary air injection is studied to understand practical injector needs. Results show unburnt ammonia leaving the rich stage as a primary contributor to NO x emissions – driven both by increased heat loss and reduced mixing rates. Furthermore, heat losses have been shown to create conditions that are conducive to increased N 2 O formation in the lean stage. In conclusion, the results of this study will be considered in the context of developing optimized two-stage RQL combustors for ammonia.

Combustion↗
DOE OSTI2023

Enabling off-highway diesel engine downsizing and performance improvement using electrically assisted turbocharging

Internal combustion engine (ICE) downsizing through various turbocharging configurations is generally known by the powertrain design community as an effective means to reduce frictional losses, increase waste heat recovery, and improve fuel efficiency while increasing engine power density. However, often is the case that turbocharging strategies, including variable geometry turbochargers, and regulated two-stage turbochargers, incur the performance tradeoff between transient response and fuel economy (pumping losses) at high engine speeds. For off-highway vehicles having particularly transient and high-powered duty cycles, efforts to improve this tradeoff and increase operational flexibility have turned to evaluating various electrified air system architectures. In this study, a 4.5 L diesel-ICE configured with an electrically driven compressor (eBooster ® ) is placed in series with a conventional turbocharger and integrated into a 48 V mild-hybrid powertrain architecture. The objective of this powertrain configuration is to enable engine downsizing by 34%, replacing the current 6.8 L ICE platform with the hybridized 4.5 L ICE concept. The commercial 1-D simulation software GT-SUITE is used for powertrain system development and system optimization. Development and validation of the GT-SUITE model and air system controls is concurrently supported through experimental data collection. The simulation model development includes using machine learning methods for optimizing exhaust gas dilution, injection timing, and eBooster ® power to improve steady-state and transient brake-specific fuel consumption while minimizing criteria pollutant emissions. It was found that total specific fluid consumption over the standardized non-road transient engine duty cycle could be reduced by 18% over the current 6.8 L engine by using an optimized eBoosted 4.5 L engine. The hybridized 4.5 L engine concept concurrently showed sufficient transient response capability and nearly an order of magnitude reduction in duty cycle total soot production.

25 ENERGY STORAGE↗
DOE OSTI2026

Distinct drivers of recent seasonal precipitation increase over Central Asia: roles of anthropogenic aerosols and greenhouse gases

Observational evidence reveals a pronounced wetting trend over Central Asia in recent decades, with the most substantial increases occurring during winter and summer. Yet the extent to which the drivers of these changes differ seasonally remains unknown. Here, we use single-forcing experiments from the Precipitation Driver and Response Model Intercomparison Project (PDRMIP) to examine the effects of various external forcings on winter and summer precipitation across Central Asia and to explore the physical mechanisms underlying seasonal precipitation changes. We find that greenhouse gas (GHG) forcing mainly increases winter precipitation by enhancing atmospheric moisture content through warming. In contrast, in summer, Asian sulfate aerosols enhance precipitation by modulating the westerly jet, which strengthens atmospheric moisture transport into the region. Asian black carbon exerts an opposing influence that partially offsets the sulfate-induced effect. Further attribution analysis based on CMIP6 simulations reinforces these sensitivity results and shows that GHG forcing is the primary driver of winter precipitation increases whereas anthropogenic aerosols dominate summer trends. Future CMIP6 projections suggest that under moderate- to high-emission scenarios, winter precipitation will continue to rise due to increasing GHG concentrations, while summer precipitation may decline across much of Central Asia as a result of reduced aerosol emissions following Asian clean air policies. These findings highlight a distinct seasonality in the drivers of recent precipitation increase and suggest a plausible divergence in future winter and summer precipitation trends.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Open-source simulation program for extreme ultraviolet and soft x-ray sources based on high-harmonic generation

Light sources based on high-harmonic generation (HHG) underpin ultrafast spectroscopy experiments across a large range of photon energies, spanning from the extreme ultraviolet to the soft x-ray. To this day, their design, implementation, and improvement presens unique challenges, but can be aided by numerical tools. Here we present a new simulation program designed for this purpose, which takes both macroscopic and microscopic aspects of high-harmonic generation into account and is therefore applicable across the broad range of parameters which HHG based light sources are today utilized. The program is validated by comparison with published experimental results and by calculating harmonic emission in four common experimental configurations.

Femtosecond lasers↗
DOE OSTI2022

Feasibility study of a high spatial and time resolution beam emission spectroscopy diagnostic for localized density fluctuation measurements in Lithium Tokamak eXperiment-β (LTX-β)

Trapped electron mode (TEM) is the main source of turbulence predicted for the unique operation regime of a flat temperature profile under low-recycling conditions in the LTX-β tokamak, while ion temperature gradient driven turbulence may also occur with gas fueling from the edge. To investigate mainly TEM scale density fluctuations, a high spatial and time resolution 2D beam emission spectroscopy (BES) diagnostic is being developed. Apart from spatially localized density turbulence measurement, BES can provide turbulence flow and flow shear dynamics. This BES system will be realized using an avalanche photodiode-based camera and narrow band interference filter. The system can acquire data at 2 MHz. Simulations with the Simulation of Spectra (SOS) code indicate that a high signal to noise ratio can be achieved with the proposed system. This will enable sampling the density fluctuations at this high time resolution. Finally, the design considerations and system optimization using the SOS code are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Comparison of Long-Term Bioenergy with Carbon Capture and Storage to Reference Power Generation Technologies Using CO2 Avoidance Cost in the U.S.

Bioenergy with carbon capture and storage (BECCS) can sequester atmospheric CO2, while producing electricity. The CO2 avoidance cost (CAC) is used to calculate the marginal cost of avoided CO2 emissions for BECCS as compared to other established energy technologies. A comparative analysis using four different reference-case power plants for CAC calculations is performed here to evaluate the CO2 avoidance cost of BECCS implementation. Results from this work demonstrate that BECCS can generate electricity at costs competitive with other neutral emissions technologies, while simultaneously removing CO2 from the atmosphere. Approximately 73% of current coal power plants are approaching retirement by the year 2035 in the U.S. After considering CO2 sequestered from the atmosphere and coal power plant CO2 emissions displaced by BECCS, CO2 emissions can be reduced by 1.4 billion tonnes per year in the U.S. alone at a cost of $88 to $116 per tonne of CO2 removed from the atmosphere, for 10% to 90% of available biomass used, respectively. CAC calculations in this paper indicate that BECCS can help the U.S. and other countries transition to a decarbonized electricity grid, as simulations presented in this paper predict that BECCS power plants operate at lower CACs than coal plants with CCS.

25 ENERGY STORAGE↗
DOE OSTI2021

A fully kinetic model for orphan gamma-ray flares in blazars

ABSTRACT Blazars emit a highly variable non-thermal spectrum. It is usually assumed that the same non-thermal electrons are responsible for the IR-optical-UV emission (via synchrotron) and the gamma-ray emission (via inverse Compton). Hence, the light curves in the two bands should be correlated. Orphan gamma-ray flares (i.e. lacking a luminous low-frequency counterpart) challenge our theoretical understanding of blazars. By means of large-scale two-dimensional radiative particle-in-cell simulations, we show that orphan gamma-ray flares may be a self-consistent by-product of particle energization in turbulent magnetically dominated pair plasmas. The energized particles produce the gamma-ray flare by inverse Compton scattering an external radiation field, while the synchrotron luminosity is heavily suppressed since the particles are accelerated nearly along the direction of the local magnetic field. The ratio of inverse Compton to synchrotron luminosity is sensitive to the initial strength of turbulent fluctuations (a larger degree of turbulent fluctuations weakens the anisotropy of the energized particles, thus increasing the synchrotron luminosity). Our results show that the anisotropy of the non-thermal particle population is key to modelling the blazar emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

CFD modeling of non-catalytic, partial-oxidation engine reformer for flare mitigation

Flaring associated natural gas is commonly employed in the oil and gas industry to reduce methane (CH 4 ) emissions but generates carbon dioxide (CO 2 ) and harmful pollutants, significantly contributing to air pollution and posing risks to public health. To mitigate this impact, M2X Energy Inc. has developed a small-scale, modular gas-to-methanol system. This system features an engine reformer that performs fuel-rich partial oxidation of wellhead gas to produce syngas—a mixture of carbon monoxide (CO) and hydrogen (H 2 )—followed by a downstream reactor for methanol synthesis. This study focused on computational fluid dynamics (CFD) modeling of the engine reformer to simulate partial oxidation chemistry, predict the rich-burn operating limit, and assess syngas quality, ultimately aiding in design and operational optimization. The CFD model, developed within a Reynolds-Averaged Navier-Stokes (RANS) turbulence framework, incorporated sub-models for turbulent combustion, a chemical mechanism with polycyclic aromatic hydrocarbon (PAH) pathways, and soot emissions to accurately capture the fuel-rich, turbulent jet ignition and combustion processes. Model validation against experimental data showed good agreement across pre- and main-chamber pressures, apparent heat release rates, and exhaust gas concentrations of key species (H 2 , CO, CO 2 , CH 4 ) for varying intake equivalence ratios. Here, the model identified a rich-burn operating limit near a fuel-air equivalence ratio of 2.35, consistent with experimental observations. Furthermore, syngas quality analysis revealed that extending the rich-burn limit through engine reformer optimization could enhance syngas production, contributing to higher methanol synthesis efficiency.

Computational Fluid Dynamics↗
DOE OSTI2024

An integrated transportation-power system model for a decarbonizing world

Rising demand for electricity from electric vehicles (EVs) will require new paradigms to guarantee reliable and low-cost electricity. This study couples an agent-based travel demand simulator and an electricity grid model to assess the economic costs of supplying power to meet EVs' added demand across the Chicago region. Results suggest that shifting from personal EVs to a fleet of shared, fully-automated all-electric vehicles (SAEVs) could lower per-mile emissions, congestion, and embodied vehicle and charging infrastructure emissions. Further, the results should compel policymakers to shift the cost of providing power onto commercial customers, like electric ride-hail fleets, through price-indexed electricity prices, which can shift charging to off-peak periods or away from resource-scarce hours.

Integrated modeling↗
DOE OSTI2025

Azimuthal and axial structures in 3D particle-in-cell simulation of Penning discharge

We report the results of a 3D particle-in-cell simulation of cylindrical Penning discharge with the axial magnetic field in the so-called reflex configuration, where the cathode and anti-cathode are biased to the same negative potential. The discharge is supported by thermal electron emission from the cathode. Electron and ion collisions, including ionization, are fully accounted for. The emphasis is on a specific regime in which the plasma potential at the center of the discharge is positive with respect to the chamber walls, serving as an anode. Spatial and temporal scales of the observed azimuthal and axial fluctuations and structures are characterized. It is suggested that azimuthal structures are caused by the dissipative gradient-drift instability. We find that the axial fluctuations related to the plasma-beam instabilities are weakly correlated with the azimuthal perturbations of the density, so that the azimuthal modes rotate as a whole and do not show any axial shear. The behavior of the electric potential is more involved, demonstrating intermittent standing wave and propagating structures in the axial direction that modulate the electron transport, producing the standing wave pattern (along the z-direction) in the radial electron flux.

3D PIC simulation of discharge↗
DOE OSTI2024

Analysis of RNA viral function from metatranscriptomic reads in drought simulated soils

Soil viruses have received increased interest in recent years because of their abundance and unelucidated potential as drivers for organic carbon derived from fungal and bacterial necromass. With decreasing levels of rainfall and climbing instances of unseasonal conditions, it becomes crucial to our goals for negative carbon emissions to understand how soil carbon flux is affected. Here we leveraged metatranscriptomic data from a section of research plot of Hopland Research and Extension in northern California with a suite of viral detection tools: VirSorter, DRAMv, and VContact2. We aimed to cross analyze moisture regiments with viral populations. We find that viral diversity is driven by site, like bacteria. We found that viral diversity at face value showed some differentiation but did not significantly differ by legacy moisture content. Additionally, there was detection of auxiliary metabolic genes in a viral sequence which may further support virus’s direct input into the soil carbon pool.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A detailed experimental and modeling comparison of molecular radiative heat loss in a spark-ignition engine

Radiative heat transfer has been chiefly considered negligible in internal combustion engines, except for Diesel engines where soot radiation was recognized as a significant radiative transfer source. Only more recently, detailed simulations have shown that molecular radiation can be substantial as well. In extension to this, molecular radiative heat transfer can reach detectable levels of about 5–10% of the total heat transfer in spark-ignited engines. The broadband radiative nature of the significant emitting molecules, carbon dioxide and water, makes it necessary to address whether radiative trapping plays a substantial role in either total heat loss or energy redistribution within the cylinder. An experimental setup that allows measurements of the infrared emissions at a 2-crank-angle-degree resolution was developed to determine the importance of radiative trapping by carbon dioxide and water. Measurements were conducted in the well-characterized and documented TCC-III engine at the University of Michigan. The engine operated on a stoichiometric propane/air mixture at a speed of 1,300 RPM. Large Eddy Simulations with added line-by-line photon Monte-Carlo simulations of the molecular radiation were an integral part of this study to plan and devise the measurements. Post-processing of the simulation data included an accurate representation of the experimental volume from where infrared signals are collected. Additionally, the experimental data were used for validation of the photon Monte-Carlo simulations. Joint analysis of experimental and simulated spectra allowed quantifying the significance of radiative trapping. Results show the significant role of radiative trapping when predicting radiative heat transfer in the TCC-III engine.

42 ENGINEERING↗
DOE OSTI2022

Assessing mass balance-based inverse modeling methods via a pseudo-observation test to constrain NO x emissions over South Korea

This study constrains NO x emissions by utilizing mass balance–based inverse modeling methods and examines the optimization of inverse modeling conditions through a pseudo-observation test for South Korea, which has complex topography. Here, we applied mass balance–based inverse modeling methods such as Basic Mass Balance (BMB), Finite Difference Mass Balance (FDMB), and Iterative Finite Difference Mass Balance (IFDMB). We performed a numerical simulation of air quality using the Community Multi-scale Air Quality (CMAQ) model to calculate the NO 2 column density required for the inverse modeling. The pseudo-observation test was performed according to season, modeling resolution, and regridding methodology of satellite observation data to identify various conditions while applying the inverse modeling for South Korea. Comparing the inverse modeling results from the BMB, FDMB, and IFDMB methods, IFDMB was the most effective method in constraining NO x emissions in the South Korean region since it minimized smearing effects (i.e., transport-induced errors) through iterative calculations. The accuracy of the constrained NO x emissions using mass balance–based inversions in South Korea was the highest in the summer due to the minimized smearing effects, and the 9 km resolution modeling was the most efficient for inverse modeling of the region. In addition, the results of inverse modeling varied depending on the regridding methods, implying the importance of using a suitable regridding method and modeling resolution. This study used pseudo-observations, but the inversions are expected to be applied based on actual satellite data in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The effects of pre-plasma scale length on the relativistic electron beam directionality

The effects of pre-plasmas on the electron beam directionality was experimentally and numerically investigated. Single material and layered targets made of Ti and/or CH were used to simultaneously measure high-energy (≥3 MeV) electrons along two directions, pre-pulse energy and pre-plasma density. The electron directionality is quantified by using a new parameter, the electron energy ratio of the total kinetic energies along the two directions. Measurements and radiation–hydrodynamic (RH) simulations show that a large (≥3.5 μm) plasma scale length at the critical surface enhances electrons along the laser axis, and such pre-plasma conditions could only be achieved with the CH targets. Particle-in-cell simulations were performed on the RH generated pre-plasmas from Ti and CH targets, and the results show that the CH target provided conditions for higher forward momentum gains by electrons. First, the CH target allowed longer distances for electrons to interact with laser. Second, the intense laser pulse modified the critical surface, but the resulting surface differed. The CH target resulted in a smooth surface where a retro-reflection was observed while the Ti target resulted in a rippled surface that scattered the reflected light. As results, the CH electrons gained higher forward momentum via a direct-laser-acceleration in the counter propagating laser fields. So the results presented in this article show a way of controlling the high-energy electron directionality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Planck 2018 results - IV. Diffuse component separation

We present full-sky maps of the cosmic microwave background (CMB) and polarized synchrotron and thermal dust emission, derived from the third set of Planck frequency maps. These products have significantly lower contamination from instrumental systematic effects than previous versions. The methodologies used to derive these maps follow closely those described in earlier papers, adopting four methods (Commander, NILC, SEVEM, and SMICA) to extract the CMB component, as well as three methods (Commander, GNILC, and SMICA) to extract astrophysical components. Our revised CMB temperature maps agree with corresponding products in the Planck 2015 delivery, whereas the polarization maps exhibit significantly lower large-scale power, reflecting the improved data processing described in companion papers; however, the noise properties of the resulting data products are complicated, and the best available end-to-end simulations exhibit relative biases with respect to the data at the few percent level. Using these maps, we are for the first time able to fit the spectral index of thermal dust independently over 3° regions. We derive a conservative estimate of the mean spectral index of polarized thermal dust emission of β d = 1.55 ± 0.05, where the uncertainty marginalizes both over all known systematic uncertainties and different estimation techniques. For polarized synchrotron emission, we find a mean spectral index of β s = -3.1 ± 0.1, consistent with previously reported measurements. We note that the current data processing does not allow for construction of unbiased single-bolometer maps, and this limits our ability to extract CO emission and correlated components. The foreground results for intensity derived in this paper therefore do not supersede corresponding Planck 2015 products. For polarization the new results supersede the corresponding 2015 products in all respects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Targeted electrochemical reduction of carcinogenic N -nitrosamines from emission control systems within CO 2 capture plants

N-Nitrosamines are one of the environmentally significant byproducts from aqueous amine-based post-combustion carbon capture systems (CCS) due to their potential risk to human health. Safely mitigating nitrosamines before they are emitted from these CO 2 capture systems is therefore a key concern before widescale deployment of CCS can be used to address worldwide decarbonization goals. Electrochemical decomposition is one viable route to neutralize these harmful compounds. The circulating emission control waterwash system, commonly installed at the end of the flue gas treatment trains to minimize amine solvent emissions, plays an important role to capture N-nitrosamines and control their emission into the environment. The waterwash solution is the last point where these compounds can be properly neutralized before becoming an environmental hazard. In this study, the decomposition mechanisms of N-nitrosamines in a simulated CCS waterwash with residual alkanolamines was investigated using several laboratory-scale electrolyzers utilizing carbon xerogel (CX) electrodes. Hcell experiments revealed that N-nitrosamines were decomposed through a reduction reaction and are converted into their corresponding secondary amines thereby neutralizing their environmental impact. Batch-cell experiments statistically examined the kinetic models of N-nitrosamine removal by a combined adsorption and decomposition processes. The cathodic reduction of the N-nitrosamines statistically obeyed the first-order reaction model. Finally, a prototype flow-through reactor using an authentic waterwash was used to successfully target and decompose N-nitrosamines to below the detectable level without degrading the amine solvent compounds allowing them to be return to the CCS and lower the system operating costs. Furthermore, the developed electrolyzer was able to efficiently remove greater than 98% of N-nitrosamines from the waterwash solution without producing any additional environmentally harmful compounds and offers an effective and safe route to mitigate these compounds from CO 2 capture systems.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Thermal and solubility effects on fault leakage during geologic carbon storage

Geologic carbon storage (GCS) is a promising method for reducing anthropogenic CO 2 emissions to the atmosphere. To safely deploy GCS in the field, it is necessary to assess risks and the effect of uncertainty on safe storage. The effect of uncertainty can be quantified using batches of simulations, but the high computational costs of high-resolution simulations necessitate use of reduced-order models (ROMs). Previous work involves ROMs for quantifying the risk of different potential leakage paths from storage reservoirs to shallow formations. However, previous studies on development of fault-leakage ROMs have limited numbers of uncertain parameters and do not explicitly examine impacts of CO 2 solubility and thermal stresses on fault reactivation, which can generate high-permeability pathways and compromise CO 2 storage. Here, we analyze an ensemble of simulations considering CO 2 leakage from a storage reservoir to a shallow aquifer through a fault while varying a number of uncertain parameters related to thermo-hydro-mechanical properties and CO 2 injection. We show the effects of solubility on: free-phase CO 2 -leakage rates, brine-leakage rates, and poroelastic fault destabilization. We find that CO 2 solubility is more important for estimating free-phase CO 2 -leakage rates compared to brine-leakage rates or poroelastic fault destabilization. We also find that thermal stresses and overpressures have different spatial distributions within the fault, indicating that the spatial variability of overpressures due to variation in flow parameters does not necessarily make the spatial variability of thermal stresses negligible. We suggest the use of the CO 2 phase-change path as a variable in future fault-leakage ROMs.

03 NATURAL GAS↗
DOE OSTI2023

Physics-informed machine learning for fault-leakage reduced-order modeling

Geologic carbon storage (GCS) is a promising technology for mitigating CO 2 emissions. The overall success of GCS depends on safe operations that are informed by risk assessment and have proper mitigation plans in place. Performing quantitative probabilistic risk assessment for a GCS site using traditional reservoir simulators can be challenging due to the high computational costs. To overcome this challenge, the US Department of Energy’s National Risk Assessment Partnership (NRAP) project has developed an integrated assessment modeling approach that utilizes computationally efficient reduced-order models (ROM) for simulating various parts of a GCS storage site to quantify uncertainty. Here, in this study, we develop a reduced-order model for fault leakage risk assessment. We use a deep learning approach to build the reduced-order model. We perform a sensitivity analysis and find that the deep learning model yields high accuracy with a much smaller computational cost than full-physics simulation. We also evaluate the performance of the model in scenarios where simulations are not possible to run, providing analysis not previously performed in fault-leakage ROM analyses. Based on a sensitivity analysis of the model, we suggest a simplified conceptual model for fault leakage and site monitoring.

58 GEOSCIENCES↗