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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Progress Toward Simulating Departure from Nucleate Boiling at High-Pressure Applications with Selected Wall Boiling Closures

Recently, a Eulerian-based two-fluid computational fluid dynamics (CFD) framework with a wall heat flux partitioning approach has been intensively investigated for departure from nucleate boiling (DNB) simulation under the U.S. Department of Energy–funded Consortium for Advanced Simulation of Light Water Reactors (CASL) program. Understanding of the DNB characteristics over a range of pressurized water reactor–like operating conditions and accurate prediction of boiling crisis in the nuclear power system have been grand challenges because of the large impact of DNB on reactor safety and operational economics. The ultimate goal of this task in the CASL program is to introduce a robust multiphase CFD–based DNB modeling framework that is capable of characterizing an entire boiling history in which the wall boiling mode experiences the following through multiple stages of heat transfer mode: (1) single-phase convective heat transfer, (2) nucleate boiling heat transfer, and (3) identification of the departure of nucleate boiling. To validate the CASL boiling model, we have benchmarked simulated DNB over three different flow channel configurations (pipe flow, 5 × 5 fuel bundle with mixing vane tests, and 5 × 5 fuel bundle without mixing vane tests) against experimental measurements, and the validation result with open literature is reported. The DNB detection criteria in the simulation are checked by monitoring the peak wall temperature, wall dryout factor, and net energy balance. In addition to the DNB performance test, some preliminary sensitivity results on closure model selection are reported to address the prediction capability of local void profile against measurements. The boiling simulation tested in this study exhibits a maximum deviation of 24% from the measured DNB value in a high-pressure (i.e., 138 bars) subcooled pipe flow test. The ranges of operating conditions are as follows: 1650 to 2650 kg/m 2 ·s for mass flux and 8.5 to 96 K for subcooled inlet temperature. The deviation is even reduced to 7% when the subcooled temperature is less than 40 K. Besides accuracy, base practice guidelines for DNB detection criteria are tested by monitoring three simulation variables: (1) maximum wall temperature, (2) wall dryout factor (i.e., K-value), and (3) energy balance. Numerical robustness of DNB simulation is largely achieved in most of the validation test except for a few high subcooled test cases.

42 ENGINEERING↗
DOE OSTI2021

Diffusion-to-Imbibition Transition in Water Sorption in Nanoporous Media: Theoretical Studies

The ability to predict multiphase fluid transport in nanoporous rocks such as shales is critical for many geoscience applications, for example unconventional hydrocarbon production, geologic carbon sequestration, and nuclear waste disposal. When the pore sizes approach nanoscales, the impact of the molecular interaction forces between fluids and solids becomes increasingly important. These forces can alter macroscopic fluid phase behavior and control transport. Recent experimental studies have shown that capillary condensation and subsequent imbibition of liquid water can occur in hydrophilic nanoporous media even if the vapor phase is at a critical relative humidity (rhcrit) well below vapor saturation. This study presents a theoretical investigation of the processes controlling adsorption, capillary condensation and imbibition in nanoporous media, using the square-gradient classical density functional theory. The proposed theoretical model explicitly includes the relevant interaction forces among fluids and solids in macroscopic porous media. Application of the model to a relative-humidity-controlled water adsorption experiment is presented to demonstrate the impact of water-pore wall attractive forces on multiphase water behavior in a hydrophilic silicon nanoporous medium. Here, the model represents well the measured time-dependent evolution of the water imbibition front inside the nanoporous medium and also explains the diffusion-like water transport regimes observed at rh < rh crit and the imbibition-like flow regimes observed at rh > rh crit . The study furthermore gives an insight on hysteresis phenomenon in adsorption and desorption isotherms.

58 GEOSCIENCES↗
NASA NTRS2011

Systems and methods for separating a multiphase fluid

Apparatus and methods for separating a fluid are provided. The apparatus can include a separator and a collector having an internal volume defined at least in part by one or more surfaces narrowing toward a bottom portion of the volume. The separator can include an exit port oriented toward the bottom portion of the volume. The internal volume can receive a fluid expelled from the separator into a flow path in the collector and the flow path can include at least two directional transitions within the collector.

Weislogel, Mark M.↗
DOE OSTI2017

Revealing pMDI Spray Initial Conditions: Flashing, Atomisation and the Effect of Ethanol

Sprays from pressurised metered-dose inhalers are produced by a transient discharge of a multiphase mixture. Small length and short time scales have made the investigation of the governing processes difficult. Consequently, a deep understanding of the physical processes that govern atomisation and drug particle formation has been elusive. X-ray phase contrast imaging and quantitative radiography were used to reveal the internal flow structure and measure the time-variant nozzle exit mass density of 50 µL metered sprays of HFA134a, with and without ethanol cosolvent. Internal flow patterns were imaged at a magnification of 194 pixels/mm and 7759 frames per second with 150 ps temporal resolution. Spray projected mass was measured with temporal resolution of 1 ms and spatial resolution 6 µm × 5 µm. The flow upstream of the nozzle comprised large volumes of vapour at all times throughout the injection. The inclusion of ethanol prevented bubble coalescence, altering the internal flow structure and discharge. Radiography measurements confirmed that the nozzle exit area is dominantly occupied by vapour, with a peak liquid volume fraction of 13%. Vapour generation in pMDIs occurs upstream of the sump, and the dominant volume component in the nozzle exit orifice is vapour at all times in the injection. Furthermore, the flow in ethanol-containing pMDIs has a bubbly structure resulting in a comparatively stable discharge, whereas the binary structure of propellant-only flows results in unsteady discharge and the production of unrespirable liquid masses.

42 ENGINEERING↗
DOE OSTI2019

A Review of Physical and Numerical Approaches for the Study of Gas Stirring in Ladle Metallurgy

This article presents a review of the research into gas stirring in ladle metallurgy carried out over the past few decades. Herein, the physical modeling experiments are divided into four major areas: (1) mixing and homogenization in the ladle; (2) gas bubble formation, transformation, and interactions in the plume zone; (3) inclusion behavior at the steel–slag interface and in the molten steel; and (4) open eye formation. Several industrial trials have also been carried out to optimize gas stirring and open eye formation. Approaches for selecting criteria for scaling to guarantee flow similarity between industrial trials and physical modeling experiments are discussed. To describe the bubble behavior and two-phase plume structure, four main mathematical models have been used in different research fields: (1) the quasi-single-phase model, (2) the volume of fluid (VOF) model, (3) the Eulerian multiphase (E–E) model, and (4) the Eulerian–Lagrangian (E–L) model. In recent years, the E–E model has been used to predict gas stirring conditions in the ladle, and specific models in commercial packages, as well as research codes, have been developed gradually to describe the complex physical and chemical phenomena. Furthermore, the coupling of turbulence models with multiphase models is also discussed. For physical modeling, some general empirical rules have not been analyzed sufficiently. Based on a comparison with the available experimental results, it is found that the mathematical models focusing on the mass transfer phenomenon and inclusion behaviors at the steel-slag interface, vacuum degassing at the gas–liquid interface, dissolution rate of the solid alloy at the liquid–solid interface, and the combination of fluid dynamics and thermodynamics need to be improved further. To describe industrial conditions using mathematical methods and improve numerical modeling, the results of physical modeling experiments and industrial trials must offer satisfactory validations for the improvement of numerical modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Model‐Based Interpretation of Solute Exports and Carbon Partitioning During Shale Weathering in a Mountainous Hillslope

The weathering of sedimentary rocks in high-elevation catchments influences freshwater quality and the global carbon cycle. While individual biogeochemical mechanisms involved in this process are relatively well understood, quantifying their contributions to solute export and carbon fluxes under natural, transient conditions remains challenging. Here, we implement a numerical multidimensional and multiphase model to simulate coupled hydrological and biogeochemical processes in a shale-underlain, snow-dominated hillslope in the Rocky Mountains, Colorado. The model captures the dynamic interplay between soil respiration, mineral weathering, and climate-driven hydrological forcing, reproducing observed soil CO 2 dynamics, groundwater chemistry, and subsurface flow. Our results reveal that seasonal snowmelt enhances carbonate weathering by promoting the infiltration of CO 2 -rich water to depth, while pyrite oxidation is primarily sensitive to low water saturation that facilitates O 2 diffusion through the regolith. Topography modulates the spatial distribution of shale weathering, as steeper slopes enhance lateral drainage, favoring the delivery of reactants to greater depths. While shale weathering at our site acts as a transient carbon sink, with silicates and carbonates buffering acidity and promoting atmospheric CO 2 consumption (1% of soil-derived CO 2 ), the exported dissolved inorganic carbon is predominantly geogenic (∼73%). Consequently, when accounting for long-term marine carbonate precipitation. The current weathering regime represents a net source of carbon to the atmosphere. The oxidation of pyrite and petrogenic organic carbon together release approximately 0.9 mol·m −2 ·yr −1 of CO 2 . Our findings highlight the role of topography, hydroclimate, and the coupling between acid-base reactions in shaping the carbon balance and the solute exports in mountainous critical zones.

carbon cycling↗
DOE OSTI2020

Heterogeneous oxidation of amorphous organic aerosol surrogates by O 3 , NO 3 , and OH at typical tropospheric temperatures

Typical tropospheric temperatures render possible phase states of amorphous organic aerosol (OA) particles of solid, semisolid, and liquid. This will affect the multiphase oxidation kinetics involving the organic condensed-phase and gaseous oxidants and radicals. To quantify this effect, we determined the reactive uptake coefficients (γ) of O 3 , NO 3 , and OH by substrate films composed of single and binary OA surrogate species under dry conditions for temperatures from 213 to 313 K. A temperature-controlled coated-wall flow reactor coupled to a chemical ionization mass spectrometer was applied to determine γ with consideration of gas diffusion transport limitation and gas flow entrance effects, which can impact heterogeneous reaction kinetics. The phase state of the organic substrates was probed via the poke-flow technique, allowing the estimation of the substrates' glass transition temperatures. γ values for O 3 and OH uptake to a canola oil substrate, NO 3 uptake to a levoglucosan and a levoglucosan / xylitol substrate, and OH uptake to a glucose and glucose / 1,2,6-hexanetriol substrate have been determined as a function of temperature. We observed the greatest changes in γ with temperature for substrates that experienced the largest changes in viscosity as a result of a solid-to-liquid phase transition. Organic substrates that maintain a semisolid or solid phase state and as such a relatively higher viscosity do not display large variations in heterogeneous reactivity. From 213 to 293 K, γ values of O 3 with canola oil, of NO 3 with a levoglucosan / xylitol mixture, and of OH with a glucose / 1,2,6-hexanetriol mixture and canola oil, increase by about a factor of 34, 3, 2, and 5, respectively, due to a solid-to-liquid phase transition of the substrate. These results demonstrate that the surface and bulk lifetime of the OA surrogate species can significantly increase due to the slowed heterogeneous kinetics when OA species are solid or highly viscous in the middle and upper troposphere. This experimental study will further our understanding of the chemical evolution of OA particles with subsequent important consequences for source apportionment, air quality, and climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Enhanced energy conversion efficiency promoted by cavitation in gasoline direct injection

High-pressure direct fuel injection plays the most crucial role in energy conversion and improving engine combustion efficiency and emission. The optimization of turbulent and multiphase fuel injection has focused on controlling hydrodynamic parameters such as injection pressure. While the thermodynamic influence is often considered in the flash boiling situation, we inquire into how gasoline-type fuel’s hydro- and thermodynamic properties impact the injection dynamics by fuel-temperature induced cavitation. The turbulent and cavitating flows emanating from the direct-injection nozzle is visualized by ultrafast x-ray imaging with an unprecedented spatiotemporal resolution. The ultrafast liquid-fuel dynamics are dominated by injection pressure as well as fuel temperature through cavitation, an important thermodynamic parameter but often difficult to control in engine combustion. With the most direct and quantitative measurement, we discovered that the near-nozzle fuel-jet dynamics can be perfectly scaled by a single dimensionless parameter, cavitation number, particularly sensitive to the fuel temperature, in a wide operation range. This universal scaling shows that cavitation can be harnessed to elevate the pneumatic-hydraulic to kinetic energy conversion efficiency, critical for promoting fuel atomization and engine combustion performance. This enhancement effect will have even more impact on engine combustion using alternative low-emission fuels with higher saturated vapor pressure.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells

Thin foil based porous transport layers (PTLs) that contain highly structured pore arrays have shown promise as anode PTLs in proton exchange membrane electrolysis cells. These novel PTLs, fabricated with advanced manufacturing techniques, produce thin, tunable, multifunctional layers with reduced flow and interfacial resistances and high thermal and electric conductivities. To further optimize their design, it is important to understand their fundamental impact on the transport of protons, electrons, and liquid/vapor mixtures in the electrode. In this work, we develop a two-dimensional multiphysics model to simulate the coupled electrochemistry and multiphase transport in an electrolysis cell operated with the novel PTL architecture. The results show that larger pores improve access of water to the anode catalyst layer, which is beneficial for both the oxygen evolution reaction and membrane hydration. Larger pore sizes also improve oxygen gas transport from the catalyst layer, because generated oxygen gas is forced to travel in-plane through the anode catalyst layer until it reaches a pore opening that is connected to a channel. The discussed results confirm that the proposed thin foil based PTLs are fundamentally different from conventional PTLs, such as felts or layered meshes. The model developed in this work also provides generalizable insight into fundamental PEMEC phenomena, such as the competition between liquid and gas phase transport, membrane hydration and water management, and nonuniform electrochemical reactions, which are processes relevant to all PEMEC designs.

25 ENERGY STORAGE↗
NASA NTRS2022

An Investigation Into Some Important Aspects of Droplet Breakup/Vaporization Behavior Caused By a Gas Flow (Both Nonreacting & Detonative Combustion) in a Shock Tube

As a part of the rotating detonation engine (RDE) technology enablement project at NASA Glenn Research Center (GRC), an effort was undertaken to extend our current computational capabilities of OpenNCC in some important ways with the implementation of a modeling approach to account for the droplet breakup caused by a shock-induced gas motion, & a vaporization model valid over a wide range of pressure conditions encountered in multiphase detonation. With the modified code, a study was undertaken to investigate the individual droplet behavior followed by the passage of a shock front. The study is carried out by tracking a sparse group of droplets to gain some understanding of shock induced droplet behavior under various shock strengths & fuel injector conditions. The study also looks into the effect of randomization involved in determining the droplet breakup outcomes. Over a wide range of sub-critical conditions examined, larger droplets are observed to undergo significant changes in droplet behavior following their breakup. However, smaller droplets (10 µm or less ) remain unaffected by any shock induced breakup. In a follow-on work, we investigated the impact of shock and droplet interaction in a detonation study involving both gaseous as well as gas/liquid (droplet clouds) fuel/air stoichiometric mixtures in a simple 3D shock-tube configuration. The droplet clouds are made up of different initial droplet sizes of either 6, 10, or 30 µm. We also investigated the individual droplet behavior followed by the passage of a detonation front. The results represent conditions that lead to both overdriven and C-J (ChapmanJouguet) detonations. Under both test conditions, most of the droplet vaporization is completed within a short distance (duration) behind the detonation front & well within the region of complete combustion observed in a corresponding equivalent gas-phase fuel/air mixture. The impact of the shock-induced droplet breakup is found to be significant in the calculations involving the 30-µm droplets. Subsequent to the breakup, the drop sizes vary from 1 to 10 µm. Another factor that contributed to the observed rapid vaporization is the result of vaporization taking place under supercritical conditions. The overall detonation properties of various droplet clouds (made up of different initial sizes) are similar to those observed in a corresponding gaseous fuel/air mixture. In the calculation involving a gaseous fuel, the calculated C-J detonation velocity is 1822 m/s involving Jet-A/air and φ = 1. In the overdriven detonation, it is 2044 m/s. In the calculations involving droplet clouds, the corresponding detonation velocities are lower. The impact of increased droplet size is primarily seen in a higher reduction in the detonation velocity.

shock/droplet interaction↗
NASA NTRSDate not supplied

CFD Model Development of a Cryogenic Storage Tank Self-Pressurization in Normal Gravity and Validation against SHIIVER Experiment

Two-Phase flow and heat transfer simulations with interfacial phase change of the Structural Heat Intercept, Insulation, and Vibration Evaluation Rig (SHIIVER) self-pressurization experiment were conducted using storage tank CFD model in the framework of the ANSYS Fluent CFD code. The simulations were performed for the 70% fill level case with MLI on domes and no vapor cooling. All the phase change calculations in these simulations were generated by in-house Schrage-based evaporation-condensation model. The calculations were performed using both the VOF and Sharp Interface multiphase 2Daxisymmetric models. A number of parametric and sensitivity studies were performed to check the various aspects of the CFD model. These studies helped to understand the effects of varying several parameters on the tank pressure and temperature during self-pressurization. These parameters include: the effect of turbulence modeling and turbulence damping at the interface; the effect of constant vs. temperature dependent fluid properties; the effect of accommodation coefficient; the effect of modeling phase change at the interface and the effect of the fill level.

Computational Fluid Dynamics↗
DOE OSTI2024

Surface Structure of Reacting Solid Ramjet Fuels

Solid fuel ramjets are a developing technology that will enable extended range for supersonic vehicles. The simplicity of the system in terms of moving parts results in the performance being dictated by the solid fuel combustion processes. The physics near the surface, particularly in the fuel-rich recirculation zone, are challenging to resolve due to flow opacity. Here, regression rate measurements of hydroxyl-terminated polybutadiene from a miniature, portable slab burner are reported. Mass-averaged regression rates agree with correlations from the literature, suggesting that the proper physics in the burner are captured. Synchrotron-based phase-contrast imaging is used to quantify local surface features, including a multiphase froth layer, molten polymer transport, and local regression rate measurements in the recirculation zone. Regression rates near the inlet are less than the mass-averaged values, whereas near the reattachment point the local value exceeds the mass-averaged values. Further, the observed froth layer is as large as 2 mm near the inlet and decreases to sub-millimeter thicknesses near the reattachment point. An analytical heat transfer model is used to quantify the influence of the surface froth layer on the regression rates. Results indicate that the froth layer has an insulating effect and will reduce the local regression rate.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRSDate not supplied

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO). PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Material Response↗
NASA NTRSDate not supplied

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO) [1,2,3]. PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) [4] CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) [5] program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield [6]. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem [7]. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Thermal Protection Systems↗
DOE OSTI2016

Final report of “A Detailed Study of the Physical Mechanisms Controlling CO2-Brine Capillary Trapping in the Subsurface” (University of Arizona, DE-SC0006696)

Carbon capture and storage (CCS) of carbon dioxide emissions generated by production or combustion of fossil fuels is a technologically viable means to reduce the build-up of CO2 in the atmosphere and oceans. Using advantages of scale and location, CCS is particularly suitable for large point sources near ubiquitous deep saline aquifers, depleted gas reservoirs, or at production reservoirs for enhanced oil recovery (EOR). In the BES-funded research project, Oregon State University (OSU) carried out capillary trapping experiments with proxy fluids that mimic the properties of the scCO2/brine system under ambient temperatures and pressures, and successfully developed a unique and novel x-ray compatible, high-pressure, elevated temperature setup to study the scCO2/brine system under challenging reservoir conditions. Both methodologies were applied to a variety of porous media, including synthetic (glass bead) and geologic (Bentheimer sandstone) materials. The University of Arizona (UA) developed pore-scale lattice Boltzmann (LB) models which are able to handle the experimental conditions for proxy fluids, as well as the scCO2/brine system, that are capable of simulating permeability in volumes of tens of millions of fluid elements. We reached the following summary findings (main institute indicated): 1. (OSU/UA) To understand capillary trapping in a multiphase fluid-porous medium system, the system must be analyzed from a pore-scale force balance perspective; trapping can be enhanced by manipulating wetting and nonwetting phase fluid properties. 2. (OSU) Pore-scale fluid connectivity and topology has a clear and direct effect on nonwetting phase capillary trapping efficiency. 3. (OSU) Rock type and flow regime also have a pronounced effects on capillary trapping. 4. (OSU/UA) There is a predictable relationship between NWP connectivity and NWP saturation, which allows for development of injection strategies that optimize trapping. The commonly used Land model (Land, 1968) does not predict amount of trapped NWP accurately. 5. (UA) There are ambiguities regarding the segmentation of large-volume gray-scale CT data into pore-volumes suitable for pore-scale modeling. Simulated permeabilities vary by three orders of magnitude and do not resemble observed values very well. Small-volume synchrotron-based CT data (such as produced by OSU) does not suffer significantly from segmentation ambiguities. 6. (UA) A standard properly parameterized Shan-Chen model LB model is useful for simulating porous media with proxy fluids as well as the scCO2/brine system and produces results that are consistent with tomographic observations. 7. (UA) A LB model with fluid-interactions defined by a (modified) Peng-Robinson Equation of State is able to handle the scCO2/brine system with variable solid phase wettability. This model is numerically stable at temperatures between 0 and 250 °C and pressures between 3 and 50 MPa, and produces appropriate densities above the critical point of CO2 and exhibits three-phase separation below. Based on above findings OSU and UA have proposed continued experimentation and pore-scale modeling of the scCO2/brine system. The reported research has extensively covered capillary trapping using proxy fluids, but due to limited beam-time availability we were unable to apply our high-pressure CO2 setup to sufficient variation in fluid properties, and initial scCO2 connectivity. New data will also allow us to test, calibrate and apply our LB models to reservoir conditions beyond those that are currently feasible experimentally. Such experiments and simulations will also allow us to provide information how suitable proxy fluids are for the scCO2/brine system. We believe it would be worthwhile to pursue the following new research questions: 1. What are the fundamental differences in the physics underlying capillary trapping at ambient vs. supercritical conditions? 2. Do newly developed pore-scale trapping interactions and relationships translate to continuum scales? A motivation for these questions was elaborated in “Capillary Trapping of Super-Critical CO2: Linking Pore and Continuum Scales to Verify new Relationships” that was submitted to DOE-BES in 2015.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2019

Cloud Coalescence: A Dynamical Instability Affecting Multiphase Environments

Mass and size distributions are the key characteristics of any astrophysical object, including the densest clumps comprising the cold phase of multiphase environments. In our recent papers, we showed how individual clouds of various sizes form and evolve in active galactic nuclei. In particular, we showed that large clouds undergo damped oscillations as a response to their formation process. Here we follow up this investigation, addressing how different size clouds interact. We find that smaller clouds become trapped in the advective flows generated by larger clouds. The explanation for this behavior leads to a rather remarkable conclusion: even in the absence of gravity, complexes of clouds are dynamically unstable. In an idealized environment (e.g., one free of turbulence and magnetic fields) a perfectly symmetric arrangement of static clouds will remain static, but any small spatial perturbation will lead to all clouds coalescing into a single, large cloud, given enough time. Here, by using numerical simulations, we investigate the main factors that determine the rate of coalescence. In addition to the cloud separation distance, we find that the transient response of clouds to a disturbance is the primary factor. Turbulent motions in the flow can easily suppress this tendency for spatially well-separated clouds to coalesce, so it is as yet unclear if this phenomenon can occur in nature. Nevertheless, this Letter casts strong doubts on a recent hypothesis that large clouds are prone to fragmentation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Experiments and CFD simulation of mass transfer and hydrodynamics in a cylindrical bubble column

Flow visualization, Particle Image Velocimetry (PIV) and dissolved oxygen charging experiments are carried out in a small-scale cylindrical air-water bubble column at different superficial gas velocities. Void fraction profile, total gas holdup, liquid phase velocity field and volumetric mass transfer coefficient are obtained. Details of each experiment are given, with a new procedure for obtaining a 2D void fraction profile from flow visualization by image processing and time averaging which could provide useful information for CFD model validation. The experimental results are analyzed and compared with simulations where good agreement is found for both local and global flow patterns. The averaged governing equations and constitutive relations used in the simulation are discussed briefly, with emphasis on the proper comparison between simulations and experiments based on the derivation of the two-fluid model. Finally, by conducting three sets of experiments related to phase distribution, velocity field and mass transfer in the same apparatus, a validated CFD model for multiphase mass transfer is established and can be used in the future design of a multi-phase reactor.

42 ENGINEERING↗
DOE OSTI2022

Vadose Zone Transport of Tritium and Nitrate under Ponded Water Conditions

Vadose zone transport of tritium and nitrate can be important considerations at radioactive waste sites, landfills, or areas with industrial impacts. These contaminants are of particular concern because they typically have a relatively higher mobility in the subsurface compared to other compounds. Here, we describe a semiarid site with tritium and nitrate contamination involving a manmade ponded water source above a thick unsaturated zone at Los Alamos National Laboratory in New Mexico, USA. This study demonstrates the value of vadose zone flow and transport modeling for the development of field investigation plans (i.e., identifying optimal borehole locations and depths for contaminant characterization), and how a combination of modeling with isotope and geochemical measurements can provide insight into how tritium and nitrate transport in the vadose zone in semiarid environments. Modeling results suggest that at this location, tritium transport is well predicted by classical multiphase theory. Our work expands the demonstrated usefulness of a standard tritium conceptual model to sites with ponded surface conditions and agrees with previous results where a standard model was able to explain the evolution of a tritium plume at an arid waste disposal site. In addition, depth-based analyses of δ 18 O and δ 2 H of pore waters helped confirm the extent of pond infiltration into the vadose zone, and the δ 15 N of nitrate showed that the contaminant release history of the site was different than originally assumed.

58 GEOSCIENCES↗