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DOE OSTI2016

Plasma–liquid interactions: a review and roadmap

We present that plasma-liquid interactions represent a growing interdisciplinary area of research involving plasma science, fluid dynamics, heat and mass transfer, photolysis, multiphase chemistry and aerosol science. This review provides an assessment of the state-of-the-art of this multidisciplinary area and identifies the key research challenges. The developments in diagnostics, modeling and further extensions of cross section and reaction rate databases that are necessary to address these challenges are discussed. Finally, the review focuses on non-equilibrium plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Effect of the volume fraction gradient on the phase interaction force model for disperse two-phase flows

In this work, the effects of the particle volume fraction gradient on fluid-particle interactions are studied. The phase interaction force is decomposed into three terms. For the first term, namely the symmetrized force density, we present theoretical reasoning and numerical evidence to assume that it is independent of the particle volume fraction gradient. The second term is the particle volume fraction gradient times a newly introduced diffusion stress. The third term is the divergence of the particle-fluid-particle (PFP) stress. If this assumption of independence of the particle volume fraction gradient for the first term can be verified, to the first order of the ratio of the mean distance between particles to the macroscopic lengthscale, all three terms can be studied and modeled in flows with uniform particle distributions. Models thus obtained are applicable to statistically inhomogeneous flows, with the second and third terms accounting for statistical inhomogeneity. To verify this assumption, numerical simulations of flows passing fixed arrays of particles are performed. Both uniform and nonuniform particle volume fractions are studied and compared for disperse multiphase flows with the particle Reynolds numbers ranging from 1 to 100, and particle volume fraction ranging from 1% to 26% in statistically steady states. It is found that the symmetrized force (first) term can be well approximated by the drag force obtained from studies of uniform flows. The diffusion stress is positive along the flow direction and negative in the directions perpendicular to the flow. In the case of moving particles, this stress could potentially cause particle aggregation in the flow direction and dispersion in the directions perpendicular to the flow. Finally, the diffusion stress is only important when there is a volume fraction gradient, while the PFP stress can be important in inhomogeneous flows with either nonuniform particle concentrations or nonuniform average relative velocities between the phases.

42 ENGINEERING↗

DOE OSTI2020

Electronic Scanning Strategies in Adaptive Electrical Capacitance Volume Tomography: Tradeoffs and Prospects

Electrical Capacitance Volume Tomography (ECVT) has been applied for imaging of multiphase flows found in industrial applications. The ill-posed nature of the image reconstruction problem in ECVT and the consequent low resolution can be alleviated by employing electronic scanning enabled by electrode segmentation and reconfiguration during data acquisition. Here we study electronic scanning strategies that mimic physical rotation and shifting of the sensor along its symmetry axis. First, we study the feasibility of electronic scanning by analyzing the capacitance transducer circuit in SPICE. Then, we simulate electronic scanning using the finite element method for different electrode shapes, for which we compare the image reconstruction results and acquisition time. We find a noticeable improvement in image resolution for the scanning cases over conventional ECVT. Lastly, among the scanning cases, we emphasize a particular electrode shape that provides the best image resolution along with the minimal amount of acquisition time.

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

The Fascinating and Complex Dynamics of Geyser Eruptions

Geysers episodically erupt liquid and vapor. Despite two centuries of scientific study, basic questions persist-why do geysers exist? What determines eruption intervals, durations, and heights? What initiates eruptions? Through monitoring eruption intervals, analyzing geophysical data, taking measurements within geyser conduits, performing numerical simulations, and constructing laboratory models, some of these questions have been addressed. Geysers are uncommon because they require a combination of abundant water recharge, magmatism, and rhyolite flows to supply heat and silica, and large fractures and cavities overlain by low-permeability materials to trap rising multiphase and multicomponent fluids. Eruptions are driven by the conversion of thermal to kinetic energy during decompression. Larger and deeper cavities permit larger eruptions and promote regularity by isolating water from weather variations. Furthermore, the ejection velocity may be limited by the speed of sound of the liquid + vapor mixture.

58 GEOSCIENCES↗

DOE OSTI2021

MFIX-Exa: A path toward exascale CFD-DEM simulations

MFIX-Exa is a computational fluid dynamics–discrete element model (CFD-DEM) code designed to run efficiently on current and next-generation supercomputing architectures. MFIX-Exa combines the CFD-DEM expertise embodied in the MFIX code—which was developed at NETL and is used widely in academia and industry—with the modern software framework, AMReX, developed at LBNL. The fundamental physics models follow those of the original MFIX, but the combination of new algorithmic approaches and a new software infrastructure will enable MFIX-Exa to leverage future exascale machines to optimize the modeling and design of multiphase chemical reactors.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

SECARB Pressure Monitoring Data

Bottom-hole, above zone monitoring interval, and injection zone pressure data collected during the SECARB project in Cranfield, Mississippi to assess the relationship between pressure field and multiphase field. Submission includes 10-second interval data from Detailed Area of Study wells: CFU31-F1 (injector), CFU31-F2 (observation), CFU31-F3 (observation) and Ella G Lees no. 7 (observation) well located west of the DAS. Associated Publications: Joy, C. A., 2011, The effects of pressure variation and chemical reactions on the elasticity of the lower Tuscaloosa sandstone of the Cranfield Field Mississippi, The University of Texas at Austin, Master’s thesis, 97 p. Kim, S., and Hosseini, S. A., 2013, Above-zone pressure monitoring and geomechanical analysis of a field scale CO2 injection, Cranfield Mississippi, Greenhouse Gases: Science and Technology, doi:10.1002/ghg.1388. Kim, S., and Hosseini, S. A., 2017, Study on the ratio of pore-pressure/stress changes during fluid injection and its implications for CO2 geologic storage: Journal of Petroleum Science and Engineering, v. 149, p. 138-150, doi:10.1016/j.petrol.2016.10.037. Mathias, S. A., Gluyas, J. G., Gonzalez Martinez de Miguel, G. J., and Hosseini, S. A., 2011, Role of partial miscibility on pressure buildup due to constant rate injection of CO2 into closed and open brine aquifers: Water Resources Research, v. 47, W12525, 11 p., doi:10.1029/2011WR011051. Meckel, T. A., Zeidouni, M., Hovorka, S. D., and Hosseini, S.A., 2013, Assessing sensitivity to well leakage from three years of continuous reservoir pressure monitoring during CO2 injection at Cranfield, MS, USA: International Journal of Greenhouse Gas Control, [insert volume no., page numbers], doi:10.1016/j.ijggc.2013.01.019. Nicot, J.-P., Oldenburg, C. M., Bryant, S. L., and Hovorka, S. D., 2009, Pressure perturbations from geologic carbon sequestration: area-of-review boundaries and borehole leakage driving forces, in Energy Procedia (v. 1, no.1), Proceedings of 9th International Conference on Greenhouse Gas Control Technologies, GHGT9, 16–20 November, Washington DC, p. 47–54. Tao, Q., Bryant, S. L., and Meckel, T. A., 2013, Modeling above-zone measurements of pressure and temperature for monitoring CCS sites: International Journal of Greenhouse Gas Control, v. 18, p. 523–530, doi:10.1016/j.ijggc.2012.08.011.

above zone monitoring interval↗

DOE OSTI2023

Optimization of a cyclone using MFIX and Nodeworks

Video depicting the optimization process of a cyclone on NETL's chemical looping reactor (CLR) using MFIX and Nodeworks. MFIX is used to model the cyclone using PIC. Nodeworks is then used to generate proposed geometry changes using a Latin hypercube. Each design is simulated, with an objective value being computed based on the cyclone efficiency and pressure drop. A Gaussian Process surrogate model is then constructed from the objective values. This surrogate model is then used by a differential evolution optimization algorithm to identify the optimal cyclone design. Details published here: Weber, J., Fullmer, W., Gel, A., and Musser, J. (February 4, 2020). "Optimization of a Cyclone Using Multiphase Flow Computational Fluid Dynamics." ASME. J. Fluids Eng. March 2020; 142(3): 031111. https://doi.org/10.1115/1.4045952 OSTI: https://www.osti.gov/pages/servlets/purl/1763893

cyclone↗

DOE OSTI2013

Annual Report: Innovative Process Technologies (30 September 2013)

Innovative Process Technologies is concerned with the development of innovative cost-effective technologies that promote efficiency, environmental performance, availability of advanced energy systems, and the development of computational tools that shorten development timelines of advanced energy systems. The project is focused on five distinct research tasks: (1) Sensors and Controls, (2) Power Electronics and Energetic Materials, (3) Innovative Energy Concepts (IEC), (4) Computational Materials, and (5) Multiphase Flow.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2015

Fault-Related CO 2 Degassing, Geothermics, and Fluid Flow in Southern California Basins--Physiochemical Evidence and Modeling

Our studies have had an important impact on societal issues. Experimental and field observations show that CO 2 degassing, such as might occur from stored CO 2 reservoir gas, can result in significant stable isotopic disequilibrium. In the offshore South Ellwood field of the Santa Barbara channel, we show how oil production has reduced natural seep rates in the area, thereby reducing greenhouse gases. Permeability is calculated to be ~20-30 millidarcys for km-scale fault-focused fluid flow, using changes in natural gas seepage rates from well production, and poroelastic changes in formation pore-water pressure. In the Los Angeles (LA) basin, our characterization of formation water chemistry, including stable isotopic studies, allows the distinction between deep and shallow formations waters. Our multiphase computational-based modeling of petroleum migration demonstrates the important role of major faults on geological-scale fluid migration in the LA basin, and show how petroleum was dammed up against the Newport-Inglewood fault zone in a “geologically fast” interval of time (less than 0.5 million years). Furthermore, these fluid studies also will allow evaluation of potential cross-formational mixing of formation fluids. Lastly, our new study of helium isotopes in the LA basin shows a significant leakage of mantle helium along the Newport Inglewood fault zone (NIFZ), at flow rates up to 2 cm/yr. Crustal-scale fault permeability (~60 microdarcys) and advective versus conductive heat transport rates have been estimated using the observed helium isotopic data. The NIFZ is an important deep-seated fault that may crosscut a proposed basin decollement fault in this heavily populated area, and appears to allow seepage of helium from the mantle sources about 30 km beneath Los Angeles. The helium study has been widely cited in recent weeks by the news media, both in radio and on numerous web sites.

58 GEOSCIENCES↗

DOE OSTI2015

Experimental Results for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies

In support of the development of accelerator-driven production of fission product Mo-99 as proposed by SHINE Medical Technologies, a 35 MeV electron linac was used to irradiate depleted-uranium (DU) uranyl sulfate dissolved in pH 1 sulfuric acid at average power densities of 6 kW, 12 kW, and 15 kW. During these irradiations, gas bubbles were generated in the solution due to the radiolytic decomposition of water molecules in the solution. Multiple video cameras were used to record the behavior of bubble generation and transport in the solution. Seven six-channel thermocouples were used to record temperature gradients in the solution from self-heating. Measurements of hydrogen and oxygen concentrations in a helium sweep gas were recorded by a gas chromatograph to estimate production rates during irradiation. These data are being used to validate a computational fluid dynamics (CFD) model of the experiment that includes multiphase flow and a custom bubble injection model for the solution region.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2019

Phase-aware Equation of State Lookups: Addendum

This is a short, written addendum to the talk given on the progress and status of the phase aware multiphase project LA-UR 09-30168. The equation of state (EOS) project is working toward treating the material representation of phases, solids and liquids, as separate tables in an effort have more control of the physical material representations as required data for hydrocodes.

36 MATERIALS SCIENCE↗

DOE OSTI2019

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers. In: Groundwater Reactive Transport Models

PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors per realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 217 processor cores on problems composed of over 2 billion degrees of freedom. The code is currently being applied to simulate uranium transport at the Hanford 300 Area and CO2 sequestration in deep geologic formations.

carbon sequestration↗

DOE OSTI2022

Examination of Haines Jump in Microfluidic Experiments via Evolution Graphs and Interface Tracking

This work examines a type of rapid pore-filling event in multiphase flow through permeable media that is better known as Haines Jump. While existing microfluidic experiments on Haines Jump mostly seek to maintain quasi-steady states through very low bulk flow rates over long periods of time, this work explores the combined use of a highly structured microscale transport network, high-speed fluorescent microscopy, displacement front segmentation algorithms, and a tracking algorithm to build evolution graphs that track displacement fronts as they evolve through high-speed video recording. The resulting evolution graph allows the segmentation of a high-speed recording in both space and time, potentially facilitating topology-cognitive computation on the transport network. Occurrences of Haines Jump are identified in the microfluidic displacement experiments and their significance in bulk flow rates is qualitatively analyzed. The bulk flow rate has little effect on the significance of Haines Jump during merging and splitting, but large bulk flow rates may obscure small bursts at the narrowest part of the throat.

permeable media↗

DOE OSTI2023

Radionuclide Transport Simulations Supporting Proposed Borehole Waste Disposal in Israel

A scientific collaboration between the U.S. and Israel is underway to assess the suitability of a potential site for subsurface radioactive waste disposal in the Negev Desert, Israel. The Negev Desert has several favorable attributes for geologic disposal, including an arid climate, a deep vadose zone, interlayered low-permeability lithologies, and carbonate rocks with high uranium-sorption potential. These features may provide a robust natural barrier to radionuclide migration. Geologic and laboratory characterization data from the Negev Desert are incorporated into multiphase flow and transport models, solved using PFLOTRAN, to aid in site characterization and risk analysis that will support decision-making for waste disposal in an intermediate-depth borehole design. The lithology with the greatest uranium sorption potential at the site is phosphorite. We use modeling to evaluate the ability of this layer to impact uranium transport around a proposed disposal borehole. The current objective of the simulations is focused on characterizing hypothetical leakage from waste canisters and subsequent uranium migration under three infiltration scenarios. Here, we describe a hydrogeologic model based on data from a local exploratory borehole and present results for uranium flow and transport simulations under varying infiltration scenarios. We find that under the current climate conditions, it is likely that uranium will remain in the near-field of the borehole for thousands of years. However, under a hypothesized extreme climate scenario representing an increase in infiltration by a factor of 300x above present-day values, uranium may break through the phosphorite layer and exit the base of the model domain (~200 m above the water table) within 1000 years. Simulation results have direct implications for the planning of nuclear waste disposal in the Negev Desert, and specifically in intermediate-depth boreholes.

58 GEOSCIENCES↗

DOE OSTI2020

An 8.8 ps RMS Resolution Time-To-Digital Converter Implemented in a 60 nm FPGA with Real-Time Temperature Correction

This paper presented a non-uniform multiphase (NUMP) time-to-digital converter (TDC) implemented in a field-programmable gate array (FPGA) with real-time automatic temperature compensation. NUMP-TDC is a novel, low-cost, high-performance TDC that has achieved an excellent performance in Altera Cyclone V FPGA. The root mean square (RMS) for the intrinsic timing resolution was 2.3 ps. However, the propagation delays in the delay chain of some FPGAs (for example, the Altera Cyclone 10 LP) vary significantly as the temperature changes. Thus, the timing performances of NUMP-TDCs implemented in those FPGAs are significantly impacted by temperature fluctuations. In this study, a simple method was developed to monitor variations in propagation delays using two registers deployed at both ends of the delay chain and compensate for changes in propagation delay using a look-up table (LUT). When the variations exceeded a certain threshold, the LUT for the delay correction was updated, and a bin-by-bin correction was launched. Using this correction approach, a resolution of 8.8 ps RMS over a wide temperature range (5 °C to 80 °C) had been achieved in a NUMP-TDC implemented in a Cyclone 10 LP FPGA.

59 BASIC BIOLOGICAL SCIENCES↗

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↗

NASA NTRSDate not supplied

Autogenous Pressurization of a Cryogenic Tank Using Computational Fluid Dynamics

Well-validated simulation tools can be used to predict long-term storage and transfer of cryogenic propellants, which are essential to NASA’s mission plan to return to the Moon and continue to Mars. Autogenous pressurization of propellant tanks is used to supply rocket engine turbopumps with pressurized liquid fuel and oxidizer, preventing cavitation. Additionally, autogenous pressurization can be used to pressurize propellant tanks to support on-orbit propellant transfer. In lieu of expensive tests conducted on-orbit, accurate predictive computational models of these processes can be used to reduce system and propellant mass as well as mission risk. Using simulation tools also reduces the cost of analyzing and developing this technology. This study presents a multiphase computational fluid dynamics model capable of simulating autogenous pressurization of a large cryogenic tank using the commercial code STAR-CCM+. Experimental data from a full-scale tank pressurization test under terrestrial gravity is compared to simulation results using transient error metrics. Comparisons show good agreement and give confidence in using these and other validated simulation tools to develop cryogenic pressurization systems.

Cryogenics↗

NASA NTRSDate not supplied

Autogenous Pressurization of a Cryogenic Tank using Computational Fluid Dynamics

cryogenics↗