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At least 289 records · Page 16

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DOE OSTI2021

High-temperature high-pressure microfluidic system for rapid screening of supercritical CO 2 foaming agents

CO 2 foam helps to increase the viscosity of CO 2 flood fluid and thus improve the process efficiency of the anthropogenic greenhouse gas’s subsurface utilization and sequestration. Successful CO 2 foam formation mandates the development of high-performance chemicals at close to reservoir conditions, which in turn requires extensive laboratory tests and evaluations. This work demonstrates the utilization of a microfluidic reservoir analogue for rapid evaluation and screening of commercial surfactants (i.e., Cocamidopropyl Hydroxysultaine, Lauramidopropyl Betaine, Tallow Amine Ethoxylate, N,N,N' Trimethyl-N'-Tallow-1,3-diaminopropane, and Sodium Alpha Olefin Sulfonate) based on their performance to produce supercritical CO 2 foam at high salinity, temperature, and pressure conditions. The microfluidic analogue was designed to represent the pore sizes of the geologic reservoir rock and to operate at 100 °C and 13.8 MPa. Values of the pressure drop across the microfluidic analogue during flow of the CO 2 foam through its pore network was used to evaluate the strength of the generated foam and utilized only milliliters of liquid. The transparent microfluidic pore network allows in-situ quantitative visualization of CO 2 foam to calculate its half-life under static conditions while observing if there is any damage to the pore network due to precipitation and blockage. The microfluidic mobility reduction results agree with those of foam loop rheometer measurements, however, the microfluidic approach provided more accurate foam stability data to differentiate the foaming agent as compared with conventional balk testing. The results obtained here supports the utility of microfluidic systems for rapid screening of chemicals for carbon sequestration or enhanced oil recovery operations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2022

On the Stability and Phase Behavior of Titan's Subsurface Liquid Columns

On Titan, liquid hydrocarbon may stay in the subsurface porous permeable crust known as the alkanofer, analogous to water in Earth’s aquifer. In addition to pressure gradient, the subsurface liquid in alkanofers is subject to vertical compositional grading due to the gravity and temperature gradient. The common wisdom is that the liquid would normally stay underground in a stability established by the pressure that increases with depth as observed in aquifers on Earth. However, Titan’s liquids consist of nitrogen and hydrocarbons, mainly methane and ethane, the behavior of which is very sensitive to temperature and pressure. Consequently, the liquid density does not always increase with depth, thus may introduce a reverse density profile that leads to vertical convective instability of the liquid column. If reverse density profiles are present, capillary pressures arising from liquid trapped within small pores in the crust can help with the column stability. The liquid held in the capillaries can seal the space below it thus helping with the stability, unless the overpressure built from underneath becomes larger than the capillary pressure, which causes leakage to allow the liquids to seep upward from the deep. This situation is analogous to hydrocarbon seeps on Earth, where oil and natural gas escape the reservoir and flow slowly through network of cracks to the surface. An algorithm based on an extended Gibbs equation commonly used in petroleum reservoir engineering is employed in this work to produce pressure, density, and compositional profiles for evaluating the stability and phase behavior of Titan’s subsurface fluids.

Sugata Tan↗

DOE OSTI2020

Link Between CO 2 –Induced Wettability and Pore Architecture Alteration

Changes in pore (throat) size, surface roughness and mineralogy induced by supercritical-CO 2 -water-rock reactions impact petrophysical properties such as porosity, permeability, and especially wettability. Herein, we show that these changes directly impact relative permeability and capillary pressure curves, a fact rarely studied in the literature. In this work, we show that CO 2 contact angle changes emerge after Madison Limestone samples were soaked for 400 hours in CO 2 -enriched brine. Coreflooding results show that the water production rate and cumulative water production increased after the rock was exposed to carbonic acid. Moreover, the mercury capillary pressure decreased in meso- and macro-pores, indicating the increase of size in these pores due to reactions. This compounded wettability and pore network alteration can directly affect CO 2 injectivity, migration and storage capacity. Furthermore, this fundamental insight into CO 2 geological storage processes should aid practitioners to reduce uncertainties in forecasting CO 2 distribution via injection simulation.

58 GEOSCIENCES↗

DOE OSTI2022

Probing ethane phase changes in bead pack via high-field NMR spectroscopy

Phase equilibria analysis in two-phase systems requires discernment of the individual phases as well as the interfacial region. The phase behavior of fluids in constraint geometries have been studied through several techniques. High-Field Nuclear Magnetic Resonance (HF-NMR) can be used to detect fluid phases, i.e. gas, liquid, or supercritical fluid, in the bulk or under confinement. In solution-state HF-NMR, each phase exhibits a distinct chemical shift that correlates to the phase density. In turn, the emergence of multimodal in NMR spectra reveals the coexistence of multiple phases in fluid systems. Our results for ethane show that HF-NMR can enable tracking phase changes in the bulk, but also in macro-scale (10–100's μm in pore size) porous systems at various pressure and temperature conditions, even when the system us out of equilibrium. Finally, these results creates potential opportunities to investigate phase changes influenced by confinement in porous systems, though additional steps are necessary.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Geometrical-Based Generative Adversarial Network to Enhance Digital Rock Image Quality

X-ray microcomputed tomography (micro-CT) is a common tool for the study of porous media structures and properties. High-quality micro-CT data are required to accurately capture pore structures. Acquiring high-quality micro-CT data, however, is not always possible, owing to application limitations and experimental constraints. Therefore, we propose a geometrical-based generative adversarial network (GAN) to rapidly restore noisy micro-CT images to their clean counterparts. The training data and related ground-truth (GT) data are scanned for 7 min and 9.5 h, respectively. To evaluate the performance of the geometrical-based GAN, a 6003 voxel image that has never been used for training is reconstructed and compared with the corresponding GT image. Histogram matching and linear normalization are implemented to adjust the histogram of the reconstructed image to that of the GT image. A watershed-based segmentation method is then applied to delineate pore and solid phases. Lastly, we measure the Minkowski functionals and petrophysical properties, including absolute permeability, pore size distribution, drainage capillary pressure-saturation curve, and imbibition relative permeability, to estimate the physical accuracy of the denoised image. The results show that the proposed geometrical-based GAN can accurately restore noisy micro-CT data. By reducing the scanning time from 9.5 h to 7 min, the expenditure of collecting micro-CT can be decreased significantly. This is particularly important for applications where time-lapse images of a dynamic process are required, high-throughput imaging is necessary for real-time data analysis, or where the quantification of large sample volumes is required.

58 GEOSCIENCES↗

DOE OSTI2022

Effects of Vegetation on Fluxes of Nitric Oxide, Nitrogen Dioxide, and Nitrous Oxide in a Mixed Deciduous Forest Clearing

Atmosphere-terrestrial exchange of nitrogen oxides, such as nitric oxide (NO), nitrogen dioxide (NO2) and nitrous oxide (N2O), plays an important role in controlling atmospheric composition and the radiative forcing of Earth’s atmosphere. In this study, the impact of vegetation ground cover on NOx (NOx = NO + NO2) and N2O fluxes in a deciduous forest clearing was studied using dynamic flow chambers located on three experimental plots with differing vegetation ground cover. Microbial emissions of NO and N2O were observed throughout the measurement period, while NO2 was exclusively deposited. Vegetation had no observable impact on NO2 deposition. Under dry conditions, total measured nitrogen emissions were numerically similar across all plots, although the N2O:NO ratio was higher for plots containing plants. Vegetation elevates soil water content through enhanced water retention, a condition that favors denitrification and more N2O production, relative to NO. Two rain events induced pulses of NO and N2O that were higher for bare soil compared to the vegetated plots. Lower NO and N2O emissions in plant-containing chambers stemmed from enhanced root uptake of N following rewetting, which diminished the amount of N substrate available for microbial NO and N2O production. The sensitivity of soil N emissions to vegetation ground cover highlights the need for more studies that investigate this effect over a wide range of ecosystems and to include vegetation effects in future parameterizations of soil NOx and N2O used in atmospheric models. This dataset includes processed data collected from 4 dynamic flux chambers and 17 sensors. Data includes ambient gas measurements made 1 m from the surface and soil flux measurements of NO, NO2, N2O, ozone (O3) and carbon dioxide (CO2). Also included is a suite of meteorological (air temperature, humidity, pressure) and soil parameters (water filled pore space, soil temperature). Refer to the readme for more information about each of the data sets.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2005

Observation of an Aligned Gas - Solid "Eutectic" during Controlled Directional Solidification Aboard the International Space Station - Comparison with Ground-based Studies

Direct observation of the controlled melting and solidification of succinonitrile was conducted in the glovebox facility of the International Space Station (ISS). The experimental samples were prepared on ground by filling glass tubes, 1 cm ID and approximately 30 cm in length, with pure succinonitrile (SCN) in an atmosphere of nitrogen at 450 millibar pressure for eventual processing in the Pore Formation and Mobility Investigation (PFMI) apparatus in the glovebox facility (GBX) on board the ISS. Real time visualization during controlled directional melt back of the sample showed nitrogen bubbles emerging from the interface and moving through the liquid up the imposed temperature gradient. Over a period of time these bubbles disappear by dissolving into the melt. Translation is stopped after melting back of about 9 cm of the sample, with an equilibrium solid-liquid interface established. During controlled re-solidification, aligned tubes of gas were seen growing perpendicular to the planar solid/liquid interface, inferring that the nitrogen previously dissolved into the liquid SCN was now coming out at the solid/liquid interface and forming the little studied liquid = solid + gas eutectic-type reaction. The observed structure is evaluated in terms of spacing dimensions, interface undercooling, and mechanisms for spacing adjustments. Finally, the significance of processing in a microgravity environment is ascertained in view of ground-based results.

Grugel, R. N.↗

NASA NTRS2017

Reliability Issues with PME and BME Ceramic Capacitors

Exposure of chip MnO2 tantalum capacitors to humid environments might result in increased ESR, leakage currents, and first turn-on failures. However, there is a lack of literature data on the effect of moisture on reverse bias behavior of the parts. The presence of moisture can also result in pop-corning when a high water vapor pressure develops when moisture absorbed in pores of tantalum slugs vaporizes instantly during soldering process resulting in damage to capacitors. A study of kinetics of moisture ingress to and release from active elements of capacitors would allow a better understanding of degradation mechanisms and is important for preventing failures. In this work, a technique for investigation of moisture sorption and desorption in solid chip tantalum capacitors that employs tantalum slugs as a humidity sensor have been developed and kinetics of the process analyzed for different types of capacitors at temperatures from room to 125 C. A model that relates diffusion characteristics of polymer cases and size of the slugs to characteristic times of moisture sorption has been developed. A strong effect of moisture on long-term degradation of reverse bias currents in MnO2 cathode capacitors has been demonstrated and physical mechanisms discussed.

degradation↗

NASA NTRS2017

Kinetics of Moisture Sorption and Reverse Bias Degradation in Chip Tantalum Capacitors

Exposure of chip MnO2 tantalum capacitors to humid environments might result in increased ESR, leakage currents, and first turn-on failures. However, there is a lack of literature data on the effect of moisture on reverse bias behavior of the parts. The presence of moisture can also result in pop-corning when a high water vapor pressure develops when moisture absorbed in pores of tantalum slugs vaporizes instantly during soldering process resulting in damage to capacitors. A study of kinetics of moisture ingress to and release from active elements of capacitors would allow a better understanding of degradation mechanisms and is important for preventing failures. In this work, a technique for investigation of moisture sorption and desorption in solid chip tantalum capacitors that employs tantalum slugs as a humidity sensor have been developed and kinetics of the process analyzed for different types of capacitors at temperatures from room to 125 ºC. A model that relates diffusion characteristics of polymer cases and size of the slugs to characteristic times of moisture sorption has been developed. A strong effect of moisture on long-term degradation of reverse bias currents in MnO2 cathode capacitors has been demonstrated and physical mechanisms discussed.

Teverovsky, Alexander↗

NASA NTRS2017

Kinetics of Moisture Sorption and Reverse Bias Degradation in Chip Tantalum Capacitors

Teverovsky, Alexander↗

NASA NTRS1995

Influence of Two-Phase Thermocapillary Flow on Liquid Retention in Microscopic Pores

An important feature of screened propellant acquisition devices is the retention capability or maximum maintainable pressure difference across the porous barrier separating the liquid and gas. Previous experiments with liquid hydrogen showed a marked reduction in retention when the tank containing the device was pressurized with hydrogen vapor. These tests, however did not indicate any appreciable degradation in retention with helium pressurization or direct heating through the screen. The objective of this article is to determine if the thermocapillary convection arising from phase change in the microscopic pores of such screens could cause these disparities in performance. A numerical model of flow in a single pore suggests that the thermocapillary-induced gradient in liquid pressure along the surface can strongly affect surface morphology. In an evaporative environment, this gradient exerts a stabilizing influence on surface curvature, and preserves the momentum balance between the liquid and gas. With condensation, it causes a force imbalance and a destabilizing suction in the middle of the pore that reduces retention. Results also indicate that introducing an inert gas, such as helium, suppresses this retention loss mechanism by lowering thermocapillary circulation and its associated interfacial pressure gradient.

Schmidt, George R.↗

DOE OSTI2024

Data-scarce surrogate modeling of shock-induced pore collapse process

Understanding the mechanisms of shock-induced pore collapse is of great interest in various disciplines in sciences and engineering, including materials science, biological sciences, and geophysics. However, numerical modeling of the complex pore collapse processes can be costly. To this end, a strong need exists to develop surrogate models for generating economic predictions of pore collapse processes. Here, in this work, we study the use of a data-driven reduced-order model, namely dynamic mode decomposition, and a deep generative model, namely conditional generative adversarial networks, to resemble the numerical simulations of the pore collapse process at representative training shock pressures. Since the simulations are expensive, the training data are scarce, which makes training an accurate surrogate model challenging. To overcome the difficulties posed by the complex physics phenomena, we make several crucial treatments to the plain original form of the methods to increase the capability of approximating and predicting the dynamics. In particular, physics information is used as indicators or conditional inputs to guide the prediction. In realizing these methods, the training of each dynamic mode composition model takes only around 30 s on CPU. In contrast, training a generative adversarial network model takes 8 h on GPU. Moreover, using dynamic mode decomposition, the final-time relative error is around 0.3% in the reproductive cases. We also demonstrate the predictive power of the methods at unseen testing shock pressures, where the error ranges from 1.3 to 5% in the interpolatory cases and 8 to 9% in extrapolatory cases.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

High-temperature and high-pressure NMR investigations of low viscous fluids confined in mesoporous systems

Abstract In this contribution, the relaxation and diffusional behaviors of low viscous fluids, water and methanol confined into mesoporous silica and controlled size pore glass were investigated. The engineered porous systems are relevant to geologically important subsurface energy materials. The engineered porous proxies were characterized by Brunauer–Emmett–Teller (BET) surface analyzer, nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy (EM) to determine surface area, pore-wall protonation and morphology of these materials, respectively. The confined behavior of the low viscous fluids was studied by varying pore diameter, fluid-to-solid ratio, temperature, and pressure, and then compared to bulk liquid state. Both relaxation and diffusion behaviors for the confined fluids showed increasing deviation from pure bulk fluids as the fluid-to-solid ratio was decreased, and surface-to-volume ratio ( S / V ) was varied. Variable pressure deuteron NMR relaxation of confined D 2 O and confined methanol, deuterated at the hydroxyl or methyl positions, were performed to exploit the sensitivity of the deuteron quadrupole moment to molecular rotation. The methanol results demonstrated greater pressure dependence than those for water only in bulk. The deviations from bulk liquid behavior arise from different reasons such as confinement and the interactions between confined fluid and the nano-pore wall. The results of the present report give insight into the behavior of low viscosity fluid in nano-confined geometries under different state conditions.

Chemistry↗

DOE OSTI2026

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗

NASA NTRS1993

Preliminary endurance tests of water vaporizers for resistojet applications

Three water vaporizers designed for resistojet applications were built and tested for periods up to 500 h and 250 thermal cycles. Two of the vaporizers were not sensitive to orientation with respect to gravity, an indication of likely compatibility with low-gravity environments. Some temperatures and pressures in the third were impacted by orientation, although operation was always stable. The pressure drop across the sand-filled version increased by 147 percent in 38 h and 19 thermal cycles. Bonding of the sand granules in the downstream end of the heat exchanger was the suspected cause of failure of this vaporizer. Pressure drops across the two sintered stainless steel-filled versions were more gradual. One, with a pore size of 60 microns, showed an 80 percent increase in 500 h and 250 thermal cycles and another, with a 10 microns poresize, showed a 29 percent increase in 350 h and 175 thermal cycles. Testing of the latter metal-filled vaporizer was ongoing as of this writing. Oxidation of the porous metal packing materials in these vaporizers, with subsequent deposition of oxide particles within the pores, was believed to have caused the observed increases in pressure drops.

Morren, W. Earl↗

NASA NTRS1993

Preliminary endurance tests of water vaporizers for resistojet applications

Morren, W. E.↗

DOE OSTI2022

Calibration of a mesoscale tritium transport model for ceramic breeder materials in TMAP8 using experimental data

Due to the scarcity of the long-term external tritium supply, lithium-containing breeder materials are used in the blanket of fusion reactors to produce tritium faster than the deuterium-tritium fusion reaction consumes it. A cellular breeder is a promising material with higher lithium density and thermal conductivity than conventional ceramic pebbles and enhanced tritium extraction with interconnected pores. Although several experimental and modeling efforts have improved our understanding of tritium transport, the exact mechanisms governing tritium release from breeder materials are still unknown. As a result, current models cannot reliably assess the tritium breeding capabilities of cellular breeder materials. This work presents a tritium transport multiphysics model and calibrates it using experimental data of deuterium absorption and desorption from cellular breeder materials at different temperatures and pressures. This model accounts for ceramic and pore diffusion, trapping and detrapping, and several surface reactions at the pore surface. After calibrating the model and performing sensitivity analysis, we discuss pre-dominant mechanisms governing tritium release from cellular breeder materials. The model is part of the Tritium Migration Analysis Program [TMAP8], a multiscale, multiphysics framework for tritium transport based on the finite element multiphysics framework MOOSE. This study demonstrates some of TMAP8’s capabilities and provides insight into the mechanisms governing tritium transport in cellular ceramic breeder materials.

08 HYDROGEN↗

DOE OSTI2020

Sensitivity of pore collapse heating to the melting temperature and shear viscosity of HMX

A multiscale modeling strategy is used to quantify factors governing the temperature rise in hot spots formed by pore collapse from supported and unsupported shock waves in the high explosive HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). Two physical aspects are examined in detail, namely the melting temperature and liquid shear viscosity. All-atom molecular dynamics simulations of phase coexistence are used to predict the pressure-dependent melting temperature up to 5 GPa. Equilibrium simulations and the Green–Kubo formalism are used to obtain the temperature- and pressure-dependent liquid shear viscosity. Starting from a simplified continuum-based grain-scale model of HMX, in this study we systematically increase the complexity of treatments for the solid–liquid phase transition and liquid shear viscosity in simulations of pore collapse. Using a realistic pressure-dependent melting temperature completely suppresses melting for supported shocks, which is otherwise predicted when treating it as a constant determined at atmospheric pressure. Alternatively, melt pools form around collapsed pores when the pressure (and melting temperature) are reduced during the release stage of unsupported shocks. Capturing the pressure dependence of the shear viscosity increases the peak temperature of melt pools by hundreds of Kelvin through viscous work. The complicated interplay of the solid-phase plastic work, solid–liquid phase transition, and liquid-phase viscous work identified here motivate taking a systematic approach to building increasingly complex grain-scale models.

36 MATERIALS SCIENCE↗