Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “permeability models”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14

Extending Our Understanding of Compliant Thermal Barrier Performance

Thermal barriers and seals are integral components in the thermal protection systems (TPS) of nearly all aerospace vehicles. They are used to minimize the flow of hot gases through interfaces and protect underlying temperature-sensitive components and systems. Although thermal barriers have been used extensively on many aerospace vehicles, the factors affecting their thermal and mechanical performance are not well-understood. Because of this, vehicle TPS designers are often left with little guidance on how to properly design and optimize these barriers. An ongoing effort to better understand thermal barrier performance and develop models and design tools is in progress at the NASA Glenn Research Center. Testing has been conducted to understand the degree to which insulation density influences structural performance and permeability. In addition, the development of both thermal and mechanical models is ongoing with the goal of providing an improved ability to design and implement these critical TPS components.

high temperature↗

Selective permeability of PVA membranes. I - Radiation-crosslinked membranes

The water and salt transport properties of ionizing radiation crosslinked poly(vinyl alcohol) (PVA) membranes were investigated. The studied membranes showed high permeabilities and low selectivities for both water and salt. The results were found to be in accord with a modified solution-diffusion model for transport across the membranes, in which pressure-dependent permeability coefficients are employed.

Katz, M. G.↗

Selective Permeability of PVA Membranes. I: Radiation-Crosslinked Membranes

The water and salt transport properties of ionizing radiation crosslinked poly(vinyl alcohol) (PVA) membranes were investigated. The studied membranes showed high permeabilities and low selectivities for both water and salt. The results were found to be in accord with a modified solution-diffusion model for transport across the membranes, in which pressure-dependent permeability coefficients are employed.

Katz, Moshe G.↗

Skin factor and potential formation damage from chemical and mechanical processes in a naturally fractured carbonate aquifer with implications to CO 2 sequestration

Here, in this study, we investigate formation damage due to acidization and water injection tests into the naturally fractured carbonate Middle Duperow Formation at Kevin Dome, Montana, potentially diminishing the chance of a future successful Geological Carbon Sequestration (GCS) project. Multiple well-test analytical models, correlated with core description and lithology data, are used to determine flow behavior and communication between the water injection interval and surrounding formations. An improved three-dimensional (3D) geologic model with dual-continuum matrix and fracture properties is constructed based on most recent seismic, core, and water sample measurements. Brine injection is simulated to verify the interpretation from the analytical models, followed by CO 2 injection simulation. Geochemical calculations are performed to understand the in-situ processes that led to formation damage. Our findings suggest: (1) there are two possible scenarios that could lead to a positive total effective skin factor and permeability decline: partial penetration and formation damage; (2) analytical models indicate a positive total skin factor, contradicting results of a previous study suggesting that the well was mildly stimulated; (3) numerical simulation supports the formation damage hypothesis by matching the pressure buildup observed during the latter two brine injection tests; (4) several mechanical and chemical processes may have occurred during injection to clog the matrix/fracture system: anhydrite fines migration and/or calcite precipitation. We then make preventative suggestions for future GCS projects into carbonate reservoirs and remediation recommendations for GCS operation at the Kevin Dome.

54 ENVIRONMENTAL SCIENCES↗

Zero-Valent Iron Permeable Reactive Barrier to Remediate Volatile Organic Compounds in Groundwater - 20209

The US DOE-SRS, the US EPA, and the South Carolina Department of Health and Environmental Control determined it was appropriate to perform a non-time critical removal action at the P-Area Groundwater Operable Unit at the SRS to reduce the mass and downgradient transport of trichloroethylene in the P-Area groundwater plume. Contaminated groundwater discharges to a nearby stream, Steel Creek, within the SRS boundaries, resulting in trichloroethylene concentrations above the maximum contaminant level. Impact to surface water is limited in areal extent and supported by recently collected characterization data. The P-Area Groundwater Operable Unit encompasses the groundwater beneath an industrial area within SRS, P Area, where the P-Reactor once operated. The boundaries of the P-Area Groundwater Operable Unit extend northwest to Steel Creek, northeast toward PAR Pond, and southeast to Meyers Branch. Groundwater in the Upper Three Runs Aquifer of the P-Area Groundwater Operable Unit has been impacted by reactor and facility operations between 1954 and 1991, including tritium and volatile organic compounds. The P-Area surface units contributing to groundwater contamination were remediated as part of the P-Area Operable Unit in 2011. The P-Reactor closure is one of the first of its kind in the DOE Complex and is one of only a few full-sized production reactors in the US to undergo completion of final closure activities. The nature and extent of groundwater contamination was determined using a variety of investigative approaches such as groundwater monitoring wells, direct-push technology, and surface water samples. Groundwater contamination associated with trichloroethylene is primarily exhibited in a narrow plume that extends from the source area at P-Reactor and west to Steel Creek. Maximum contaminant level exceedances in groundwater occur over an area of ∼6.9 hectares for trichloroethylene with concentrations as high as 7.7 milligrams per liter. To the west of the P-Area facility area, the trichloroethylene groundwater plume is controlled by a buried geologic feature, assumed to be an old stream bed, that further narrows the groundwater plume in what has been designated as the 'neck area.' This narrowing of the groundwater plume provides an ideal location for a treatment barrier. The non-time critical removal action alternative chosen is to install a zero-valent iron permeable reactive barrier within the neck area of the trichloroethylene groundwater plume, perpendicular to groundwater flow direction. This technology will provide a treatment barrier that will reduce trichloroethylene groundwater concentrations by 90% and has an anticipated useful life of at least 25 years. A pre-design investigation was performed in the neck area to confirm site lithology, hydrogeology, geochemistry, and extent of trichloroethylene contamination prior to a final design. A treatability study, conducted as part of the pre-design investigation, indicated that the subsurface and groundwater in the PArea Groundwater Operable Unit is compatible with the zero-valent iron and will not lead to excessive buildup from mineralization/precipitation or biofouling. Probabilistic modeling was conducted using field and laboratory data to determine the expected performance of the zero-valent iron permeable reactive barrier. The model simulations indicated that a 3.81-centimeter thick barrier would provide greater than 90% reduction of trichloroethylene groundwater concentration. The final design of the zero-valent iron permeable reactive barrier is a barrier that will extend 80.5 linear meters in a 'zigzag' orientation to best transect the trichloroethylene plume and account for varying groundwater flow. The barrier will be installed from 13.7 meters below ground surface to 41.1 meters below ground surface for 65.8 linear meters and from 13.7 meters below ground surface to 36.6 meters below ground surface for 14.6 linear meters, the base of which is 'keyed' into a low permeability zone. The barrier is designed to a thickness of 10.2 centimeters, which was determined to reduce the trichloroethylene groundwater concentrations by greater than 90% with a safety factor of 2.67. A total of approximately 689 metric tons of zero-valent iron will be injected through 22 injection wells spaced 3.66 meters apart, using guar to suspend the zero-valent iron. Zero-valent iron permeable reactive barrier construction will be monitored through 23 installed resistivity receivers offset 7.32 meters from the zerovalent iron permeable reactive barrier. The zero-valent iron will be energized with a low-voltage 100 Hertz signal during injection and will be monitored using the resistivity receivers to ensure complete coalescence of the zero-valent iron permeable reactive barrier. The zero-valent iron was sized to have a hydraulic conductivity greater than the natural subsurface, thus promoting groundwater flow through the barrier. As contaminated groundwater contacts the zero-valent iron, volatile organic compounds, including trichloroethylene, are immediately degraded to harmless compounds such as ethylene. The performance of the zero-valent iron permeable reactive barrier will be monitored using three upgradient monitoring well clusters, six downgradient monitoring well clusters, and four in-wall monitoring wells. The in-wall monitoring wells will indicate immediate reduction of trichloroethylene mass in the groundwater and allow analyses of the zero-valent iron permeable reactive barrier health. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Impacts of Anisotropic Porosity on Heat Transfer and Off-Gassing during Biomass Pyrolysis

The pore structure of biogenic materials imbues the ability to deliver water and nutrients through a plant from root to leaf. This anisotropic pore granularity can also play a significant role in processes such as biomass pyrolysis that are used to convert these materials into useful products like heat, fuel, and chemicals. Evolutions in modeling of biomass pyrolysis as well as imaging of pore structures allow for further insights into the concerted physics of phase change-induced off-gassing, heat transfer, and chemical reactions. In this work, we report a biomass single particle model which incorporates these physics to explore the impact of implementing anisotropic permeability and diffusivity on the conversion time and yields predicted for pyrolysis of oak and pine particles. Simulation results showed that anisotropic permeability impacts predicted conversion time more than 2 times when the Biot number is above 0.1 and pyrolysis numbers (Py 1 , Py 2 ) are less than 20. Pore structure significantly impacts predicted pyrolytic conversion time (>8 times) when the Biot number is above 1 and the pyrolysis number is below 1, i.e., the “conduction controlled” regime. Therefore, these nondimensional numbers reflect that when internal heat conduction limits pyrolysis performance, internal pyrolysis off-gassing further retards effective heat transfer rates as a closely coupled phenomenon. Overall, this study highlights physically meaningful opportunities to improve particle-scale pyrolysis modeling and experimental validation relevant to a variety of feedstock identities and preparations, guiding the future design of pyrolyzers for efficient biomass conversion.

09 BIOMASS FUELS↗

A Comparative Study of Deep Learning Models for Fracture and Pore Space Segmentation in Synthetic Fractured Digital Rocks

This study focuses on the comparative study of deep learning (DL) models for pore space and discrete fracture networks (DFNs) segmentation in synthetic fractured digital rocks, specifically targeting low-permeability rock formations, such as shale and tight sandstones. Accurate characterization of pore space and DFNs is critical for subsequent property analysis and fluid flow modeling. Four DL models, SegNet, U-Net, U-Net-wide, and nested U-Net (i.e., U-Net++), were trained, validated, and tested using synthetic datasets, including input and label image pairs with varying properties. The model performance was assessed regarding pixel-wise metrics, including the F1 score and pixel-wise difference maps. In addition, the physics-based metrics were considered for further analysis, including sample porosity and absolute permeability. Particularly, We first simulated the permeability of porous media containing only pore space and then simulated the permeability of porous media with DFNs added. The difference between these two values is used to quantify the connectivity of segmented DFNs, which is an important parameter for low-permeability rocks. The pixel-wise metrics showed that the nested U-Net model outperformed the rest of the DL models in pore space and DFNs segmentation, with the SegNet model exhibiting the second-best performance. Particularly, nested U-Net enhanced segmentation accuracy for challenging boundary pixels affected by partial volume effects. The U-Net-wide model achieved improved accuracy compared to the U-Net model, which indicated the influence of parameter numbers. Similarly, nested U-Net has the closest match to the ground truth of physics-based metrics, including the porosity of pore space and DFNs, and the permeability difference quantifying the connectivity of DFNs. The findings highlight the effectiveness of DL models, especially the U-Net++ model with nested architecture and redesigned skip connections, in accurately segmenting pore spaces and DFNs, which are crucial for pore-scale fluid flow and transport simulation in low-permeability rocks.

Wang, Hongsheng↗

Modeling of fluid injection-induced fault reactivation using coupled fluid flow and mechanical interface model

The present study is aimed at developing a numerical model to reproduce coupled hydro-mechanical processes associated with fault reactivation by fluid injection in low permeability rock, as part of the DECOVALEX-2019 project Task B. We proposed a modeling approach for simulating the processes using the TOUGH-FLAC simulator, and modeled a fault reactivation experiment conducted at Mont Terri Rock Laboratory in Switzerland. The first step of the study involved benchmark calculations considering a simplified fault plane and geometry. Fluid flow along a fault was modeled using elements of aperture-sized thickness on the basis of Darcy's law and the cubic law in TOUGH2, whereas the mechanical behavior of a single fault was represented by zero-thickness interface elements in FLAC3D upon which a slip and/or separation is allowed. A methodology to connect a TOUGH2 volume element to a FLAC3D interface element was developed for handling the hydro-mechanical interactions on the fault during fluid injection. Two different fault models for describing the evolutions of hydraulic aperture by elastic fracture opening and failure-induced aperture increase were considered in the benchmark calculations. In the coupling process, the changes in geometrical features and hydrological properties induced by mechanical deformation were continuously updated. The transient responses of the fault and host rock to stepwise pressurization were examined during the simulation. The hydro-mechanical behavior, including the injection flow rate, pressure distribution around the borehole, stress conditions, and displacements in normal and shear directions were monitored in the surrounding rock and along the fault. The results of benchmark calculations suggest that the developed model reasonably represents the hydro-mechanical behavior of a fault and the surrounding rock. This modeling approach was applied to the fault reactivation experiment of the Mont Terri Rock Laboratory. In this interpretive modeling, a parametric study was conducted to examine the effects of input parameters regarding in situ stress and fault properties on the hydro-mechanical responses of the fault to water injection. Then, an optimal parameter set to reproduce the field experiment results was chosen by trial-and-error. The injection flow rate and pressure response during fault reactivation closely matched those obtained at the site, which indicates the capability of the model to appropriately capture the progressive pathway evolution during fault reactivation tests at the site. Finally, the anchor displacements were overestimated by the model, but a fair agreement was obtained in terms of the order of magnitude and the variation tendency.

58 GEOSCIENCES↗

Computational design of high entropy alloy coating for hydrogen turbine applications

This project aims to develop novel high entropy alloy (HEA)-based coatings to protect critical components in hydrogen-fueled turbine power system. The HEA-coatings will demonstrate superior performance in hydrogen combustion environment to commercial NiCoCrAlY coating in current natural gas turbine system. The HEA coating facilitates the formation of a protective scale of alpha-alumina to slow down the inward diffusion of oxidizing species and the outward diffusion of metal elements, and possesses ultrahigh corrosion and spallation resistance to prolong the service lifetime of critical components in hydrogen turbine power system. Aimed to accelerate the discovery of novel HEA coating compositions, high throughput computational modeling including CALPHAD and density functional theory and machine learning are performed to predict phase stability, oxygen permeability, oxidation rate constant, coefficient of thermal expansion, and mechanical properties. Based on the modeling and machine learning prediction, experimental validation is performed. Preliminary results will be presented and approaches to minimize oxidation will be discussed.

alloy design↗

Nonequilibrium Physics of Multiphase Flow in Porous Media: Wettability and Disorder

Carbon capture and geologic storage, dissociation of methane hydrates in permafrost, enhanced oil recovery, and water dropout in low-temperature fuel cells, all have something in common: two or more fluids flow simultaneously through a porous medium; and the displacement of one fluid by another is often unstable (either due to gravity or viscous forces). Yet, our ability to model multiphase flow in porous media has remained a challenge. The traditional equations are unable to predict, explain, or even reproduce, the formation of the complex patterns observed in experiments. The overarching goal of the project is to develop new physical understanding of the role of wettability and disorder in multiphase flow through permeable media, and to develop new mathematical and computational models at the pore scale and at the continuum scale.

58 GEOSCIENCES↗

Characteristics of flow through randomly packed impermeable and permeable particles using pore resolved simulations

Pore resolved simulations are performed to study the mean flow characteristics in porous media formed by random distribution of impermeable and permeable particles. Here, permeability of the medium and reactive surface areas are analyzed for a range of solid fractions, packing patterns and flow rates. The results are compared with models presented in the literature and with simulations of flow through ordered packings. Permeability of a randomly packed porous medium is found to depend on the heterogeneous distribution of porosity which results from particle agglomeration and is typically ignored by simpler models. The reactive surface area is dependent on the flow field at pore scale in addition to geometry. Moreover, the wake formed downstream of the particles at moderately high flow rates also affects the reactive surface area. Similar analysis is also performed by assuming particles to be permeable to account for dual scale porosity relevant for various engineering applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Preform Characterization in VARTM Process Model Development

Vacuum-Assisted Resin Transfer Molding (VARTM) is a Liquid Composite Molding (LCM) process where both resin injection and fiber compaction are achieved under pressures of 101.3 kPa or less. Originally developed over a decade ago for marine composite fabrication, VARTM is now considered a viable process for the fabrication of aerospace composites (1,2). In order to optimize and further improve the process, a finite element analysis (FEA) process model is being developed to include the coupled phenomenon of resin flow, preform compaction and resin cure. The model input parameters are obtained from resin and fiber-preform characterization tests. In this study, the compaction behavior and the Darcy permeability of a commercially available carbon fabric are characterized. The resulting empirical model equations are input to the 3- Dimensional Infiltration, version 5 (3DINFILv.5) process model to simulate infiltration of a composite panel.

Grimsley, Brian W.↗

Hawaii Play Fairway Analysis: Lanai Resistivity and Density 3D Inversion Models

To prepare for its third phase, the Hawaii Play Fairway project conducted groundwater sampling and analyses in ten locations in the Hawaiian islands, magnetotelluric (MT) and gravity surveys, as well as calculations of 3D subsurface stress due to the weight of the rock underlying the topography of the volcano. The subsurface stresses were used to evaluate the potential for fracture-induced permeability. Inversions of the MT and gravity data produce 3D models of resistivity and density, respectively, on Lanai, across Haleakala's SW rift (Maui), and surrounding Mauna Kea (Hawaii Island). The project developed and applied a new method for incorporating depth information about resistivity, density, and potential for fracture-induced permeability into the statistical method for computing resource probability in these three focus areas. The project then incorporated the new groundwater results with the new geophysical results and the calculations of potential for fracture-induced permeability to produce updated maps of resource probability and confidence. These results were used to identify target sites for exploratory drilling. Spreadsheet information: Each sheet contains data for a particular depth in kilometers. Positive depths are above sea level, and negative below. For more information, go to the Hawaii Groundwater and Geothermal Resources Center website linked in the resources.

15 GEOTHERMAL ENERGY↗

Mass balance approaches for estimating the intestinal absorption and metabolism of peptides and analogues: theoretical development and applications

A theoretical analysis for estimating the extent of intestinal peptide and peptide analogue absorption was developed on the basis of a mass balance approach that incorporates convection, permeability, and reaction. The macroscopic mass balance analysis (MMBA) was extended to include chemical and enzymatic degradation. A microscopic mass balance analysis, a numerical approach, was also developed and the results compared to the MMBA. The mass balance equations for the fraction of a drug absorbed and reacted in the tube were derived from the general steady state mass balance in a tube: [formula: see text] where M is mass, z is the length of the tube, R is the tube radius, Pw is the intestinal wall permeability, kr is the reaction rate constant, C is the concentration of drug in the volume element over which the mass balance is taken, VL is the volume of the tube, and vz is the axial velocity of drug. The theory was first applied to the oral absorption of two tripeptide analogues, cefaclor (CCL) and cefatrizine (CZN), which degrade and dimerize in the intestine. Simulations using the mass balance equations, the experimental absorption parameters, and the literature stability rate constants yielded a mean estimated extent of CCL (250-mg dose) and CZN (1000-mg dose) absorption of 89 and 51%, respectively, which was similar to the mean extent of absorption reported in humans (90 and 50%). It was proposed previously that 15% of the CCL dose spontaneously degraded systematically; however, our simulations suggest that significant CCL degradation occurs (8 to 17%) presystemically in the intestinal lumen.(ABSTRACT TRUNCATED AT 250 WORDS).

Non-NASA Center↗

Relative permeabilities for two-phase flow through wellbore cement fractures

Multiple fluids are likely to exist in fractures and flow paths associated with leaky wellbores, including liquids (e.g., crude oil) and gases (e.g., gas exsolved from liquid). These fluids occupy and move through different portions of the pore spaces within the fractures depending on many factors, including fluid properties, fracture size, and the amount of the different fluids. Upward leakage of any phase, through the fracture, can contaminate water-bearing formations, create hazardous surface conditions, and compromise the functionality of the wellbore. Early signs of wellbore leaks may be expressed by anomalous pressure behavior at surface monitoring points on cavern storage wells. These pressure anomalies are difficult to interpret, necessitating knowledge of the factors that affect the multiphase flow in fractures and porous media. These parameters are critical to modeling multiphase flow in fractures. This insight can guide further diagnosis and maximize leak remediation. Here, our study focuses on the relationship of the liquid–gas relative permeabilities for representative variable-aperture wellbore cement fracture. To obtain the relative permeability of each phase, two-phase flow tests were conducted where both fluids were flowing simultaneously through a fractured wellbore cement specimen under a range of factors, namely (1) aperture size, (2) capillary numbers, and (3) viscosity ratio. The flow experiments were conducted under a range of confining stresses and flow velocities, using nitrogen gas and silicone oils (of different viscosities) in a specially designed pressure vessel. The sum of gas and oil relative permeabilities were found to be less than one under all conditions, which indicates that the presence of one phase affects the permeability of the other phase, and vice versa. Since the gas phase flow conditions include a significant inertial flow component in addition to viscous flow, the inertial flow coefficients at different saturation states are presented. The factors affecting the relationship between the relative permeabilities are discussed in detail. A new mathematical model for estimating the relative permeability of wellbore cement fracture is presented and experimentally validated.

58 GEOSCIENCES↗

Heterogeneity in Permeability and Particulate Organic Carbon Content Controls the Redox Condition of Riverbed Sediments at Different Timescales

Abstract The hydrological and biogeochemical properties of the hyporheic zone in stream and riverine ecosystems have been extensively studied over the past two decades. Although it is widely acknowledged that sediment heterogeneity can influence biogeochemical reactions, little effort has been made to understand the role of heterogeneity on the spatiotemporal variability of riverbed redox conditions under changing flow dynamics at different timescales. Here we integrate a mechanistic model and field data to demonstrate that heterogeneity in permeability plays a vital role in modulating sediment redox conditions at both seasonal (annual) and event (daily‐to‐weekly) timescales, whereas heterogeneity in particulate organic carbon (POC) content only has a comparable influence on redox conditions at the seasonal timescale. These findings underscore the importance of accurately characterizing sediment heterogeneity, in terms of permeability and POC content, in quantifying biogeochemical dynamics in the riverbed and hyporheic zones of riverine ecosystems.

Geology↗

Wind Tunnel Testing of Various Disk-Gap-Band Parachutes

Two Disk-Gap-Band model parachute designs were tested in the NASA Langley Transonic Dynamics Tunnel. The purposes of these tests were to determine the drag and static stability coefficients of these two model parachutes at various subsonic Mach numbers in support of the Mars Exploration Rover mission. The two model parachute designs were designated 1.6 Viking and MPF. These model parachute designs were chosen to investigate the tradeoff between drag and static stability. Each of the parachute designs was tested with models fabricated from MIL-C-7020 Type III or F-111 fabric. The reason for testing model parachutes fabricated with different fabrics was to evaluate the effect of fabric permeability on the drag and static stability coefficients. Several improvements over the Viking-era wind tunnel tests were implemented in the testing procedures and data analyses. Among these improvements were corrections for test fixture drag interference and blockage effects, and use of an improved test fixture for measuring static stability coefficients. The 1.6 Viking model parachutes had drag coefficients from 0.440 to 0.539, while the MPF model parachutes had drag coefficients from 0.363 to 0.428. The 1.6 Viking model parachutes had drag coefficients 18 to 22 percent higher than the MPF model parachute for equivalent fabric materials and test conditions. Model parachutes of the same design tested at the same conditions had drag coefficients approximately 11 to 15 percent higher when manufactured from F-111 fabric as compared to those fabricated from MIL-C-7020 Type III fabric. The lower fabric permeability of the F-111 fabric was the source of this difference. The MPF model parachutes had smaller absolute statically stable trim angles of attack as compared to the 1.6 Viking model parachutes for equivalent fabric materials and test conditions. This was attributed to the MPF model parachutes larger band height to nominal diameter ratio. For both designs, model parachutes fabricated from F-111 fabric had significantly greater statically stable absolute trim angles of attack at equivalent test conditions as compared to those fabricated from MILC-7020 Type III fabric. This reduction in static stability exhibited by model parachutes fabricated from F-111 fabric was attributed to the lower permeability of the F-111 fabric. The drag and static stability coefficient results were interpolated to obtain their values at Mars flight conditions using total porosity as the interpolating parameter.

Cruz, Juan R.↗

A mixture parameterized biologically based dosimetry model to predict body burdens of polycyclic aromatic hydrocarbons in developmental zebrafish toxicity assays

Polycyclic aromatic hydrocarbons (PAHs) are a group of environmental toxicants found ubiquitously as complex mixtures in human-impacted environments. Developmental zebrafish exposures have been used widely to study PAH toxicity, but most studies report nominal exposure concentrations. Nominal exposure concentrations can be unreliable dose metrics due to differences in toxicant bioavailability resulting from disparate exposure methodologies and chemical properties. Toxicokinetic modeling can predict toxicant tissue doses to facilitate comparison between exposures of different chemicals, methodologies, and biological models. We parameterize a biologically based dosimetry model for developmental zebrafish toxicity assays for 9 PAHs. The model was optimized with measurements from media, tissue, and plastic plate walls throughout a static developmental exposure to a mixture of 10 PAHs of high abundance within the Portland Harbor Superfund Site. Plate binding, volatilization, zebrafish permeability, and tissue—media partitioning coefficients vary widely between PAHs. Model predictions accounted for 83% and 54% of 48 hpf body burdens within a factor of 2 resulting from exposures to mixtures and individual PAHs, respectively. Accounting for solubility significantly improves model performance. Competition for active sites in metabolizing enzymes may change biotransformation kinetics between individual PAH and mixture exposures. Area under the curve estimations of concentrations in zebrafish resulted in altered hazard rankings from nominal exposure concentrations. Future work will be oriented to generalizing the model to other PAHs. This PAH dosimetry model improves the interpretability of developmental zebrafish toxicity assays by providing time-resolved body burdens from nominal exposure concentrations.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗