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At least 505 records · Page 28

Low-speed wind-tunnel investigation of various segments of flight spoilers as trailing-vortex-alleviation devices on a transport aircraft model

An investigation was made in the Langley V/STOL tunnel to determine, by the trailing wing sensor technique, the effectiveness of various segments of the existing flight spoilers on a transport aircraft model when they were deflected as trailing-vortex-alleviation devices. The four combinations of flight-spoiler segments investigated were effective in reducing the induced rolling moment on the trailing wing model by as much as 40 to 50 percent at distances behind the transport model of from about 7 to 27 transport wing spans, 27 spans being the downstream limit of distances used in this investigation. Results obtained at about 7 wing spans downstream for two of the spoiler configurations indicate that essentially all the reduction in induced rolling moment on the trailing wing model was realized at a spoiler deflection of about 30 deg.

Croom, D. R.↗

FECM/NETL CO 2 Transport Cost Model (2022): Description and User’s Manual

The FECM/NETL CO 2 Transport Cost Model (CO 2 _T_COM) is an Excel spreadsheet model that calculates the cost of transporting CO 2 from the beginning to the end of a pipeline. This document provides two main functions. First, the document describes the equations and algorithms that are used by the model to calculate technical quantities (such as the minimum inner pipe diameter needed to transport a user-specified CO 2 mass flow rate a specified distance) and engineering-economic quantities (such as capital costs, operating costs and cash flows). Second, the document is a user’s manual for the model that describes the procedures the user must follow to run the model. The document also describes input variables and output variables (i.e., results) for the model.

42 ENGINEERING↗

FECM/NETL CO 2 Transport Cost Model (2023): Description and User’s Manual

The FECM/NETL CO 2 Transport Cost Model (CO 2 _T_COM) is an Excel spreadsheet model that calculates the cost of transporting CO 2 from the beginning to the end of a pipeline. This document provides two main functions. First, the document describes the equations and algorithms that are used by the model to calculate technical quantities (such as the minimum inner pipe diameter needed to transport a user-specified CO 2 mass flow rate a specified distance) and engineering-economic quantities (such as capital costs, operating costs and cash flows). Second, the document is a user’s manual for the model that describes the procedures the user must follow to run the model. The document also describes input variables and output variables (i.e., results) for the model. The model can be accessed at this URL: https://www.netl.doe.gov/energy-analysis/details?id=d3086f60-278d-4e97-a649-8e4d5ce5e93c

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Simulation of Particulate Transport for Delivery of Solid Amendments into the Subsurface: FY24 Status Report

For particulate-based amendments to be viable for field-scale remediation at the Hanford Site (e.g., 200 DV-1 Operable Unit), particles need to be delivered a sufficient radial distance from an injection well and retained at concentrations high enough for effective treatment. An accurate description of the particle radius of influence (ROI) is critical for developing an overall remediation strategy. However, field-scale particle simulations are currently limited due to insufficient simulation capabilities and a lack of experimental data to validate and parameterize particle transport models. To help build toward field-scale deployment, this fiscal year (FY) we have (1) developed a pre screening tool to estimate particle transport, (2) implemented particle transport models within PFLOTRAN, and (3) conducted preliminary estimations of particle ROI. While field-scale numerical simulations will ultimately be necessary before remedy design and field implementation, we have developed a pre-screening tool that offers valuable estimations of expected particle injectability and ROI in a 1-D system. The advantage of the tool is that it does not require extensive laboratory experiments and instead makes predictions based solely on routine laboratory measurements. This tool can assist in down-selection and decision-making by identifying which particle amendment systems are worth pursuing in future laboratory experiments, such as 1-D column tests and beyond. With any system, scaling up from the lab to the field presents challenges. Currently, there is no field data available for model calibration or validation. However, the theoretical particle models being developed herein are the best tools available to guide progress toward field deployment. To help bridge this gap and verify model predictions, larger-scale lab experiments are being proposed. To advance simulation capabilities, six particle transport models are being integrated into the reactive transport simulator PFLOTRAN. These include colloid filtration theory (CFT) and five additional particle transport models (M1-M5). Each model, from M1 to M5, progressively incorporates additional particle transport and retention processes. Ultimately, the simplest model capable of accurately describing 1-D column data will be selected and parameterized. During FY24, the CFT and M1 model have been fully implemented within PFLOTRAN. Using an existing 1 D column experiment, the two currently implemented particle transport models (CFT and M1), and associated parameters, were fit to this experiment. While simpler model formulations are helpful for estimations, these formulations could not fully describe particle transport and retention behavior in the previous 1-D column experiment. Thus, additional complexities will need to be considered, which will be accounted for in the M2-M5 model formulations. Additionally, because a viscous, shear thinning fluid was required to keep particles in suspension, considerations for flow will also need to also be accounted for. Therefore, a new immiscible two-phase flow mode is currently being implemented in PFLOTRAN. With some modifications, this new flow module could also support simulation of non-Newtonian liquid amendments, foams, and emulsions. We also estimated the expected ROI of solid amendments using 1-D simulations. The average predicted ROI was approximately 15 ft for micron-sized zero valent iron (mZVI) suspended in xanthan gum (XG). Using the pre screening tool and ROI estimates, additional amendment-delivery laboratory characterization and experiments are proposed. The results from additional experiments can be used to validate and parametrize particulate transport model formulations, which will ultimately provide predictive capabilities for field amendment-delivery systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Is There an Optimal CO2 Partial Column for Flux Inversions?

The fidelity of flux estimates from an atmospheric inversion depends on the ability of atmospheric transport models to simulate the measured quantity. For species such as CO2, with surface fluxes and a large network of surface measurements, this means correctly simulating the dynamics of the planetary boundary layer (PBL), which is one of the most uncertain aspects of atmospheric transport modeling. In contrast, the simulated total column average mole fraction of CO2 (XCO2) is largely insensitive to simulated PBL dynamics. Therefore, measurements of XCO2 provided by current and future short wave infrared (SWIR) greenhouse gas (GHG) satellites such as GOSAT and the OCO family would seem to be more appropriate to flux inversions, as far as minimizing transport model errors (the "noise") is concerned. Unfortunately, the flux-induced variation of CO2 (the "signal") is the largest within the PBL and smallest in XCO2. Therefore, assimilating XCO2 as opposed to PBL CO2 need not give us the strongest "signal to noise" in flux inversions. Recent work on GOSAT and OCO2 retrievals suggest that SWIR satellite spectra may be used to estimate a lower partial column CO2, which could be assimilated in a flux inversion, instead of XCO2.Here we report on a study to assess whether there is an optimal partial column average CO2, intermediate between PBL CO2 and XCO2, whose assimilation might yield the best signal to noise in flux inversions, where (as before) "signal" is the flux-induced variation and "noise" is the error in transport modeling. We simulate atmospheric CO2 with five different global transport models and a common surface CO2 flux over ten years. We consider the spread across the five models to be a proxy for transport model error (the "noise"), and the common variation of CO2 in all five models to be a proxy for the "signal". We compare these signals and noises at different spatiotemporal scales for different partial column specifications to investigate whether there exists an optimal partial column that has large surface flux-driven variations and yet is relatively insensitive to errors in transport models. Finally, we comment on the feasibility of estimating such a partial column from current and future SWIR GHG satellites in the light of recent work on vertically resolved CO2 from current SWIR GHG satellites.

Basu, Sourish↗

Hydrodynamic description of D meson production in high-energy heavy-ion collisions *

The large values and constituent-quark-number scaling of the elliptic flow of low-p T D mesons imply that charm quarks, initially produced through hard processes, might be partially thermalized through strong interactions with quark-gluon plasma (QGP) in high-energy heavy-ion collisions. To quantify the degree of thermalization of low-p T charm quarks, we compare the D 0 meson spectra and elliptic flow from a hydrodynamic model to experimental data as well as transport model simulations. We use an effective charm chemical potential at the freeze-out temperature to account for the initial charm quark production from hard processes and assume that they are thermalized in the local comoving frame of the medium before freeze-out. D 0 mesons are sampled statistically from the freeze-out hyper-surface of the expanding QGP as described by the event-by-event (3+1)D viscous hydrodynamic model CLVisc. Both the hydrodynamic and transport models can describe the elliptic flow of D 0 mesons at P T < 3 GeV/c as measured in Au+Au collisions at $sqrts_{NN} = 200$ GeV. Though the experimental data on spectra are consistent with the hydrodynamic result at small p T ~ 1 GeV/c, they deviate from the hydrodynamic model at high transverse momentum, GeV/c. The diffusion and parton energy loss mechanisms in the transport model can describe the measured spectra reasonably well within the theoretical uncertainty. Finally, our comparative study indicates that charm quarks only approach local thermal equilibrium at small p T , even though they acquire sizable elliptic flow comparable to light-quark hadrons at both small and intermediate p T .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Assessment and Simulation of Particulate Transport for Delivery of Solid Amendments into the Subsurface: FY25 Status Report

For particulate-based amendments to be viable for field-scale remediation at the Hanford Site (e.g., the 200 DV-1 Operable Unit), amendment particles need to be delivered a reasonable distance away from an injection well to provide cost effective in situ treatment. Field-scale particle transport models can estimate spatial deposition of amendment particles in the subsurface, which is critical for developing an overall remediation strategy. However, field-scale particle simulations are currently limited due to insufficient simulation capability and a lack of experimental data to validate and parameterize particle transport models. During this fiscal year, the following progress has been made toward a field-scale particle transport modeling evaluation: (1) in addition to the two particle transport models implemented last FY, four additional particle transport models have been implemented within PFLOTRAN; (2) a Python-based pre-screening tool was finalized, enabling users to quickly estimate the particle radius of influence (ROI) for any given particle-amendment system; and (3) an initial compatibility assessment was completed using both particle transport simulations deployed through the pre-screening tool, in conjunction with general guidelines to (a) identify the most suitable amendment particle sizes for various Hanford sediments and (b) evaluate amendment-delivery fluid compatibility. The preliminary compatibility assessment revealed that for amendment delivery success to the various Hanford target formations, amendment particle sizes will likely need to be smaller than the amendment sizes tested in the DV-1 treatability study. It is recommended that amendment particles be decreased in size, or alternative smaller size amendments be obtained from the manufacture, prior to any further experimental testing. Also, preliminary testing suggests that xanthan gum may be the most broadly compatible delivery fluid. Planned laboratory experiments will be instrumental in validating and refining the PFLOTRAN particulate transport model formulations, ultimately enabling predictive capabilities to facilitate the design of field-scale amendment delivery systems. This work consists of acquiring new theoretical or experimental knowledge. The information associated with this report should not be used as design input or operating parameters without additional qualification.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Update of CO2_T_COM and CO2_S_COM Models (CO2 Transport and Storage Costs)

PowerPoint file for presentation made on August 18, 2022 at NETL's Carbon Management Project Review Meeting. The presentation provides an overview of updates and improvements to two techno-economic models. The FECM/NETL CO2 Transport Cost Model (CO2_T_COM) is a model for transport of liquid CO2 by pipeline. CO2_T_COM is a point to point pipeline model. FECM/NETL CO2 Saline Storage Cost Model (CO2_S_COM) is a model for storage of CO2 in deep saline geologic formations.

Morgan, David↗

Comparison of distributed acceleration and standard models of cosmic-ray transport

Recent cosmic-ray abundance measurements for elements in the range 3 less than or equal to Z less than or equal to 28 and energies 10 MeV/n less than or equal to E less than or equal to 1 TeV/n have been analyzed with computer transport modeling. About 500 elemental and isotopic measurements have been explored in this analysis. The transport code includes the effects of ionization losses, nuclear spallation reactions (including those of secondaries), all nuclear decay modes, stripping and attachment of electrons, escape from the Galaxy, weak reacceleration and solar modulation. Four models of reacceleration (with several submodels of various reacceleration strengths) were explored. A chi (exp 2) analysis show that the reacceleration models yield at least equally good fits to the data as the standard propagation model. However, with reacceleration, the ad hoc assumptions of the standard model regarding discontinuities in the energy dependence of the mean path length traversed by cosmic rays, and in the momentum spectrum of the cosmic-ray source spectrum are eliminated. Futhermore, the difficulty between rigidity dependent leakage and energy independent anisotropy below energies of 10(exp 14) eV is alleviated.

Letaw, J. R.↗

Probing Sensitivity of Discharge Characteristics to Model Selection using Uncertainty Quantification in an aprotic Li-Oxygen Battery

Currently, there are several models in the literature, such as kinetic models, microstructural models, and mass transport models that describe a Li-air battery's discharge behavior. Many of these models are calibrated and tested at low current densities and cannot be easily transferred to high current densities. Even at low current densities, there is no quantitative method for a researcher to choose a reaction kinetic model such as classical Butler-Volmer and its derivatives, and modified Marcus-Hush-Chidsey, a resistance model for lithium peroxide such as electron transport via tunneling or linear resistivity, a surface coverage model (lithium peroxide growth) such as partial coverage or full coverage, and mass transport model (discussed in Ref. [1]). Also, it is time-consuming to test different models at high current density (1C) due to a lack of well-tested models and well-calibrated model parameters. For this presentation, we will develop an analytical model, which acts as a surrogate model for a sophisticated finite element model to predict discharge time and discharge voltage. Next, we use an uncertainty quantifying technique called reduced-order stochastic optimization [2, 3] to determine the uncertainty in model parameters for rate kinetics, lithium peroxide resistivity, and parasitic resistance. Finally, a finite element simulation is performed to determine the error introduced by the surrogate model and its influence on the uncertainty in the model parameters.

M Mehta↗

Overview of the FECM/NETL CO2 Transport Cost Model (CO2_T_COM)

This presentation provides an overview of the FECM/NETL CO2 Transport Cost Model (CO2_T_COM). COP2_T_COM is a technoeconomic model of a point-to-point pipeline transporting liquid CO2. There can be booster pumps along the pipeline. Presented at the 2024 FECM - NETL Carbon Management Research Project Review Meeting, 5-9 August, 2024, Pittsburgh, PA.

Morgan, David↗

Explaining the Accumulation of Intercontinental Biomass Burning Pollution: High Versus Low Processes, Africa Versus South America, Cooking Versus Mixing

The intercontinental buildup of tropospheric ozone, carbon monoxide, and other pollutants over the South Atlantic has been attributed to biomass burning over distant continents. We address several of the large questions regarding the nature and budget of this buildup have remained: What is the role of turning In South America or various portions of Africa in this accumulation? What are the relative roles of shallow and deep convection for emplacing various compounds in the free troposphere? Can we understand the ozone budget? We report the first simulations of a three-dimensional pollutant transport model, (GRACES) transport which is driven by fully reconstructed meteorology for the TRACE-A/SAFARI period of 1992. Greater detail is provided by a two-dimensional, detailed-chemistry model of more restricted regions of Africa. We find a predominant role for African emissions affecting the Atlantic during this period. Boundary-layer venting via PBL convection tends to build the observed carbon monoxide column over the ocean, while deep cumulonimbus processes tend to explain rather more of the ozone column.

Chatfield, Robert B.↗

Assessing the Martian Surface Distribution of Aeolian Sand using a Mars General Circulation Model

A sand transport model using White's sand flux equation and the Mars beneral circulation model was developed to understand the erosional sources, transport pathways, and depositional sinks of windblown sand on Mars. An initially uniform distribution of sand (4 mm over the entire surface) is reeionally transported based on wind stress, saltation threshold, and percentage of topogaphic trapping. Results are consistsnt with the , observed polar and Hellespontus dunes and Christensen's madeled block size distribution, butonly for an extremely law saltation threshold (0.024 N/sq m): Low thresholds generally result in transport of sand-sized particles originating in the northern mid latitudes to the north pole, and transport from the northern lower latitudes to the southern hemisphere. Our results indicate that the polar dune fields could form in 50,000 years, consistent with the active polar dunes and lack of longitudinal dunes observed on the surface of Mars.

Anderson, F. S.↗

Biofuel Infrastructure, Logistics, and Transportation (BILT) Model for Supply Chain Analysis: Documentation for BILT

The Biofuel Infrastructure, Logistics, and Transportation (BILT) model for supply chain analysis developed by Oak Ridge National Laboratory for the US Department of Energy is an accounting and optimization model that tracks the entire biomass-to-end-use supply chain (e.g., biomass production, transportation, and processing) for potential feedstocks, pathways, and end uses. This report summarizes the development, function, and operation of the BILT model.

09 BIOMASS FUELS↗

A model of stratospheric chemistry and transport on an isentropic surface

This paper presents a new photochemical transport model designed to simulate the behavior of stratospheric trace species in the middle stratosphere. The model has an Eulerian grid with the latitude and longitude coordinates on a single isentropic surface (hemispheric or global), in which both the dynamical and the photochemical processes can be accurately represented. The model is intgegrated for 12 days with winds and temperatures supplied by three-dimensional integration of an idealized wavenumber-one disturbance. The results for the long-lived tracers such as N2O showed excellent correlation with the potential vorticity distribution, validating the transport scheme. Calculations with zonally averaged wind and temperature fields showed that discrepancies in the calculation of the zonal mean were less than 10 percent for O3 and HNO3, compared with the zonal mean of the previous results.

Austin, John↗

Modeling Monthly Nitrate Concentration in a Karst Spring with and without Discrete Conduit Flow

Understanding the coupled continuum pipe-flow framework for modeling contaminant transport in karst systems is critical for protecting water resources therein. This study simulated point and non-point source nitrate concentration in a karst spring and investigated the results generated from the flow and transport model with and without discrete conduit flow. CFPv2 and CMT3D models were integrated to address the changes in nitrate concentration at a monthly scale in a karst spring, and the results were compared with that from an equivalent porous media (EPM) model with high-hydraulic conductivity (K) zones set in the main karstified area to represent conduits. The results show that the CFPv2+CMT3D model is able to describe well the recession of nitrate concentration in spring discharge, and the relatively larger deviation (slower nitrate recession) from the observed trend for the EPM model is probably a result of the limitation of utilizing high hydraulic conductivity cells to represent conduit. Moreover, simulated hydraulic heads in poorly karstified areas from the two models both show slight differences from the observations (the head RMSE values of calibration/validation for CFPv2 and MODFLOW models are 0.16 m/0.25 m and 0.26 m/0.17 m, respectively), indicating the inclusion of conduits may not affect the simulation considerably, and the lower the proportion of karstic area, the slight effects brought from the inclusion of conduits in the model. For highly karstified areas, the CFPv2+CMT3D model could provide more accurate results (head RMSE of calibration/validation for CFPv2 and MODFLOW are 0.22 m/0.06 and 0.52 m/0.47 m, respectively), showing the coupled continuum pipe-flow framework may be more appropriate for applying to highly and maturely karstified areas where the variations in the behavior of flow and contaminant transport are more affected by turbulent flow regime.

54 ENVIRONMENTAL SCIENCES↗

Plutonium reactive transport in fractured granite: Multi-species experiments and simulations

Plutonium (Pu) in the subsurface environment can transport in different oxidation states as an aqueous solute or as colloidal particles. The transport behavior of Pu is affected by the relative abundances of these species and can be difficult to predict when they simultaneously exist. This study investigates the concurrent transport of Pu intrinsic colloids, Pu(IV) (aq) and Pu(V-VI) (aq) through a combination of controlled experiments and semi-analytical dual-porosity transport modeling. Pu transport experiments were conducted in a fractured granite at high and low flow rates to elucidate sorption processes and their scaling behavior. In the experiments, Pu(IV) (aq) was the least mobile of the Pu species, Pu(V-VI) (aq) had intermediate mobility, and the colloidal Pu, which consisted mainly of precipitated and/or hydrolyzed Pu(IV), was the most mobile. The semi-analytical modeling revealed that the sorption of each Pu species was rate-limited, as the sorption could not be described by assuming local equilibrium in the experiments. The model was able to describe the sorption of the different Pu species that occurring either on fracture surfaces, in the pores of the rock matrix, or simultaneously in both locations. While equally good fits to the data could be achieved using any of these assumptions, a fracture-dominated process was considered to be the most plausible because it provided the most reasonable estimates of sorption rate constants. Importantly, a key result of this work is that the sorption rate constant of all Pu species tends to decrease with increasing time scales, which implies that Pu will tend to be more mobile at longer time scales than observations at shorter time scales suggest. This result has important implications for predicting the environmental impacts of Pu in the safety assessments of geologic repositories for radioactive waste disposal, and we explore potential mechanistic bases for upscaling the sorption rate constants to time and distance scales that cannot be practically evaluated in experiments.

58 GEOSCIENCES↗

A New Retrieval Algorithm for OMI NO2: Tropospheric Results and Comparisons with Measurements and Models

Nitrogen oxides (NOx =NO+NO2) are important atmospheric trace constituents that impact tropospheric air pollution chemistry and air quality. We have developed a new NASA algorithm for the retrieval of stratospheric and tropospheric NO2 vertical column densities using measurements from the nadir-viewing Ozone Monitoring Instrument (OMI) on NASA's Aura satellite. The new products rely on an improved approach to stratospheric NO2 column estimation and stratosphere-troposphere separation and a new monthly NO2 climatology based on the NASA Global Modeling Initiative chemistry-transport model. The retrieval does not rely on daily model profiles, minimizing the influence of a priori information. We evaluate the retrieved tropospheric NO2 columns using surface in situ (e.g., AQS/EPA), ground-based (e.g., DOAS), and airborne measurements (e.g., DISCOVER-AQ). The new, improved OMI tropospheric NO2 product is available at high spatial resolution for the years 200S-present. We believe that this product is valuable for the evaluation of chemistry-transport models, examining the spatial and temporal patterns of NOx emissions, constraining top-down NOx inventories, and for the estimation of NOx lifetimes.

Swartz, W. H.↗