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DOE OSTI2022

The influence of random packed column parameters on the liquid holdup and interfacial area

Abstract Carbon dioxide capture via solvent absorption in packed columns has emerged as a potential technology to mitigate coal‐fired power plant CO 2 emissions. Parameters, including packing types, solvent properties, and operating conditions, could potentially affect the packed column CO 2 capture efficiency. To understand the importance of those parameters and help packed column optimization, a design of experiments (DoEs) method was proposed to generate input parameter matrix. Combined with multiphase computational fluid dynamics (CFD), the random packed column parameter influence on the liquid holdup and interfacial area can be efficiently investigated. Surrogate‐based sensitivity analysis shows that the solvent flow rate and contact angle are key factors dictating liquid holdup and interfacial area. On the other hand, solvent viscosity has a marginal impact on the interfacial area. The sensitivity scores were calculated for each input parameter to guide the selection of dimensionless numbers for the liquid holdup and interfacial area correlation development.

42 ENGINEERING↗

NASA NTRS2003

XMM-Newton and Chandra Observations of the Galaxy Group NGC 5044: Evidence for Limited Multiphase Hot Gas - 1

Using new XMM and Chandra observations, we present an analysis of the temperature structure of the hot gas within a radius of 100 kpc of the bright nearby galaxy group NGC 5044. A spectral deprojection analysis of data extracted from circular annuli reveals that a two-temperature model (2T) of the hot gas is favored over single-phase or cooling flow (M = 4.5 +/- 0.2 solar mass/yr) models within the central approx.30 kpc. Alternatively, the data can be fitted equally well if the temperature within each spherical shell varies continuously from approx.T(sub h) to T(sub c) approx. T(sub h)/2, but no lower. The high spatial resolution of the Chandra data allows us to determine that the temperature excursion T(sub h) approaches T(sub c) required in each shell exceeds the temperature range between the boundaries of the same shell in the best-fitting single-phase model. This is strong evidence for a multiphase gas having a limited temperature range. We do not find any evidence that azimuthal temperature variations within each annulus on the sky can account for the range in temperatures within each shell. We provide a detailed investigation of the systematic errors on the derived spectral models considering the effects of calibration, plasma codes, bandwidth, variable NH, and background rate. We find that the RGS gratings and the EPIC and ACIS CCDs give fully consistent results when the same models are fitted over the same energy ranges for each instrument. The cooler component of the 2T model has a temperature (T(sub c) approx. 0.7 keV) similar to the kinetic temperature of the stars. The hot phase has a temperature (T(sub h) approx. 1.4 keV) characteristic of the virial temperature of the solar mass halo expected in the NGC 5044 group. However, in view of the morphological disturbances and X-ray holes visible in the Chandra image within R approx. equals 10 kpc, bubbles of gas heated to approx.T(sub h) in this region may be formed by intermittent AGN feedback. Some additional heating at larger radii may be associated with the evolution of the cold front near R approx. 50 kpc, as suggested by the sharp edge in the EPIC images. Subject headings: cooling flows - galaxies: formation - galaxies: halos - intergalactic medium - X-rays: galaxies: clusters

Buote, David A.↗

DOE OSTI2018

Beyond Relaxation and Newton–Raphson: Solving AC OPF for Multi-Phase Systems With Renewables

This paper focuses on the AC Optimal Power Flow (OPF) problem for multi-phase systems. Particular emphasis is given to systems with high integration of renewables, where adjustments of the real and reactive output powers from renewable sources of energy are necessary in order to enforce voltage regulation. The AC OPF problem is known to be nonconvex (and, in fact, NP-hard). Convex relaxation techniques have been recently explored to solve the OPF task with reduced computational burden; however, sufficient conditions for tightness of these relaxations are only available for restricted classes of system topologies and problem setups. Identifying feasible power-flow solutions remains hard in more general problem formulations, especially in unbalanced multi-phase systems with renewables. To identify feasible and optimal AC OPF solutions in challenging scenarios where existing methods may fail, this paper leverages the Feasible Point Pursuit - Successive Convex Approximation algorithm - a powerful approach for general nonconvex quadratically constrained quadratic programs. The merits of the approach are illustrated using single- and multiphase distribution networks with renewables, as well as several transmission systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

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.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1996

Microgravity Particle Dynamics

This research seeks to identify the experiment design parameters for future flight experiments to better resolve the effects of thermal and velocity gradients on gas-solid flows. By exploiting the reduced body forces and minimized thermal convection current of reduced gravity experiments, features of gas-solid flow normally masked by gravitationally induced effects can be studied using flow regimes unattainable under unigravity. This paper assesses the physical scales of velocity, length, time, thermal gradient magnitude, and velocity gradient magnitude likely to be involved in laminar gas-solid multiphase flight experiments for 1-100 micro-m particles.

Clark, Ivan O.↗

DOE OSTI2022

Development of machine learning framework for interface force closures based on bubble tracking data

Interfacial force closures in the two-fluid model play a critical role for the predictive capabilities of void fraction distribution. However, the practices of interfacial force modeling have long been challenged by the inherent physical complexity of the two-phase flows. The rapidly expanding computational capabilities in the recent years have made high-fidelity data from the interface-captured direct numerical simulation become more available, and hence potential for data-driven interfacial force modeling has prevailed. In this work, we established a data-driven modeling framework integrated to the HZDR multiphase Eulerian-Eulerian framework for computational fluid dynamics simulations. The data-driven framework is verified in a benchmark problem, where a feedforward neural network managed to capture the non-linear mapping between bubble Reynolds number and drag coefficient and reproduce the void distribution resulting from the baseline model in the test case. The second focus is on utilizing the bubble tracking data set to form a closure for the bubble drag in the turbulent bubbly flow, in which the drag coefficient is set to be correlated with the bubble Reynolds number and the Eötvös number. Pseudo-steady state filtering in the Frenet Frame was carried out to obtain the drag coefficient from the turbulent bubbly flow data. The performance of the data-driven drag model is also examined through a case study, where improvement of model’s prediction near-wall is regarded necessary. In conclusion, discussion and further plans of investigation are provided.

42 ENGINEERING↗

DOE OSTI2020

Online ion mobility spectrometry of nanoparticle formation by non-thermal plasma conversion of metal salts in liquid aerosol droplets

The synthesis of nanoparticles by reaction of liquid aerosol droplets containing precursors in a flow-through, atmospheric-pressure, non-thermal plasma offers a continuous, scalable, substrate- and stabilizer-free approach for direct deposition into liquids or onto soft substrates. However, the combination of multiphase and non-equilibrium chemistry makes the process complicated and poorly understood. Here, we present ion mobility spectrometry measurements of liquid water droplets containing silver nitrate passing through an atmospheric-pressure dielectric barrier discharge reactor that allows us to monitor silver nanoparticle formation online for the first time. Mobility diameter distributions were obtained with the plasma on and off, and exhibited a shift, which was related to the degree of conversion of silver nitrate. The silver nanoparticles were also collected and characterized by UV–visible absorbance spectroscopy and transmission electron microscopy to support the online measurements. Importantly, negligible conversion was found when the water was removed by a diffusion dryer, suggesting that the key reducing species are in the liquid phase, such as solvated electrons. Finally, the study demonstrates how ion mobility spectrometry measurements can be applied to provide insight into this approach to nanoparticle synthesis.

42 ENGINEERING↗

DOE OSTI2024

Machine Learning-Enhanced Multiphase CFD for Carbon Capture Modeling Run Data

Repository for the data generated as part of the 2023-2024 ALCC project "Machine Learning-Enhanced Multiphase CFD for Carbon Capture Modeling." The data was generated with MFIX-Exa's CFD-DEM model. The problem of interest is gravity driven, particle-laden, gas-solid flow in a triply-periodic domain of length 2048 particle diameters with an aspect ratio of 4. The mean particle concentration ranges from 1% to 40% and the Archimedes number ranges from 18 to 90. The particle-to-fluid density ratio, particle-particle restitution and friction coefficients and domain aspect ratio are held constant at values of 1000, 0.9, 0.25 and 4, respectively. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 using NERSC award ALCC-ERCAP0025948.

AMReX↗

DOE OSTI2019

Investigation of Gravity-Driven Infiltration Instabilities in Smooth and Rough Fractures Using a Pairwise-Force Smoothed Particle Hydrodynamics Model

In this work, we use a three-dimensional multiphase pairwise-force smoothed particle hydrodynamics (PF-SPH) method to simulate infiltration dynamics in smooth and rough fractures. We investigate the influence of roughness and injection rate on the fluid flow profile and flow velocity. Three types of fractures are considered with different degrees of roughness, including a smooth fracture. Both the rough and smooth fractures exhibit flow instability, fingering, and intermittent flow regimes for low infiltration rates. A stable fluid profile only is achieved for high fluxes when fractures are fully saturated. In all considered fractures, the mean flow velocity exponentially increases with increasing infiltration rate. To characterize the flow instability, we calculate standard deviations of the velocity in different sections of the fracture relative to the mean flow velocity. For the considered infiltration rates, we find that roughness decreases the flow velocity and increases the velocity standard deviations. Hence, we observe that the likelihood of discontinuities in flow regimes increases with the degree of roughness.

58 GEOSCIENCES↗

DOE OSTI2016

A spectral cascade-transport turbulence model for wall-bounded flows

A spectral cascade-transport model has been developed and applied to turbulent channel flows (Re{sub τ} = 550, 950, and 2000 based on friction velocity, u{sub τ}; or Re{sub δ} = 8,500; 14,800 and 31,000, based on the mean velocity and channel half-width). This model is an extension of a spectral model previously developed for homogeneous single and two-phase decay of isotropic turbulence and uniform shear flows; and a spectral turbulence model for wall-bounded flows without resolving the boundary layer. A direct numerical simulation (DNS) of turbulent channel flow was used to help develop this model and to assess its performance in the 1D direction across the channel width. The resultant spectral model is capable of predicting the mean velocity, turbulent kinetic energy and energy spectrum distributions for single-phase wall-bounded flows all the way to the wall, where the model source terms have been developed to account for the wall influence. The model is in the process of implementation into the 3D multiphase CFD code NPHASE-CMFD and the latest results are within reasonable error of the 1D predictions. (authors)

42 ENGINEERING↗

DOE OSTI2024

Liquid Piston with Spray Cooling Near-Isothermal Compressor

The goal of this project was to prototype and characterize the performance of a liquid-piston spray-cooled gas compressor. The working principle of the compressor enables optimized high-efficiency operation over a very wide range of operating conditions, unlike conventional compressors that are optimized for a narrow range of operating conditions. The compressor technology is suitable for many applications, such as gas pipeline transport, gas storage, and commercial and residential heat pumps. Both physical testing and computational fluid dynamics (CFD) modeling of the processes using the Oak Ridge National Laboratory high-performance computing center were completed. The experimental and CFD studies focused on a near-isothermal liquid-piston compressor (LPC) that uses propylene glycol to compress CO 2 . The first prototype demonstrated isothermal operation during several sequentially executed cycles of CO 2 compression and raised the temperature of the compressed CO 2 by only 2 K, compared with approximately 6 K when the gas was compressed non-isothermally. Isothermal operation was demonstrated at CO 2 flow rates of up to 2 L/min. The second prototype was designed with two compression chambers to allow continuous flow of high-pressure CO 2 . However, the design of the valve train to direct flow between the compression chambers was not sufficient to allow demonstration of CO 2 compression. Numerical simulations of the LPC in which the compression chamber was filled with propylene glycol injected from the bottom inlet were performed using large eddy simulation (LES) with the wall-adapting local eddy-viscosity subgrid-scale model coupled with the multiphase volume of fluid (VOF) model to simulate the transient interface between gas and liquid and to capture the heat and mass transfers within the compression chamber. In this effort, the effects of boundary conditions applied to the LES-VOF calculations (i.e., no wall, an adiabatic wall, and a wall with a heat flux subscribed) on the overall pressure and temperature of the CO 2 gas as well as the transient evolution of flow and heat transfer within the compression chamber were investigated and are discussed in this report. The LES calculation with no wall showed no dynamical flow patterns, and the volume-averaged temperature of CO 2 increased from 305 to 392.7 K, whereas LES calculations with a constant wall temperature or a wall heat flux had similar increases of CO 2 temperatures. The results of the LES simulation using a wall heat flux showed different stages in the compression process and revealed dynamical formation and interaction of CO 2 gas layers and circulation flow patterns within the chamber that contributed to the overall heat transfer between the solid wall, gas, and liquid surface in the compressor. Though an industrial partnership for commercializing the compressor was not secured, the technology was attractive for an industrial partner to use in two research proposals in response to US Department of Energy funding opportunity announcements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Highly resolved Eulerian simulations of fuel spray transients in single and multi-hole injectors: Nozzle flow and near-exit dynamics

In high pressure fuel injectors, needle opening and closing transients cause complex off-design fluid dynamics behaviors that profoundly impact the spray and mixture formation processes. These dynamics are completely different from what is known to occur in steady state conditions. In this study, diesel spray transients have been investigated in single-hole and 3-hole nozzles, encompassing internal and external nozzle flow and including needle motion, performing highly resolved (2.5 μm) computational fluid dynamics (CFD) simulations. We focused on end-of-injection (EOI) and start-of-injection (SOI) processes, in order to provide insights in to the physics. The liquid fuel, vapor and gas species are modeled with a single-fluid multiphase mixture approach, with diffuse interface, and with large eddy simulations (LES) of the turbulence. Occurrence of phase change due to cavitation is accounted for, and the spray dispersion is described with a turbulent dispersion model. Detailed needle motion data and orifice internal surface are available from xray synchrotron source measurements carried out at Argonne National Laboratory, and shared through the Engine Combustion Network (ECN) community. Simulations are compared against x-ray phase contrast imaging and radiography of the internal and near-exit flow, in addition to optical microscopy data of the near-exit sprays. Simulation results are found to agree well with available experimental data, and are able to realistically capture local and global features. The simulations allow to gain insight into the physics of gas ingestion and dribbles at EOI, for different hole diameters, operating conditions and number of holes. At SOI, timing of liquid appearance out of the injector and spray tip penetration are adequately predicted, by using the EOI flow field as in-nozzle initialization, and by prescribing the measured tip needle displacement with an informed effective valve opening point inferred from the x-ray observations. Lastly, the variation of spreading angle over time is also discussed in detail for the multi-hole case, including hole-to-hole variations. Due to real geometry features and asymmetric needle motion with eccentric components, it is found that the three holes exhibit swirling flows of increasing intensity as the lift decreases, causing the near cone angle to open and spread, in a quasi-hollow cone structure. These features are not observed in axial single-hole injectors because of their relative simplicity and intrinsic symmetry.

42 ENGINEERING↗

DOE OSTI2017

CFD-DEM Onset of Motion Analysis for Application to Bed Scour Risk Assessment

This CFD study with DEM was done as a part of the Federal Highway Administration’s (FHWA’s) effort to improve scour design procedures. The Computational Fluid Dynamics-Discrete Element Method (CFD-DEM) model, available in CD-Adapco’s StarCCM+ software, was used to simulate multiphase systems, mainly those which combine fluids and solids. In this method the motion of discrete solids is accounted for by DEM, which applies Newton's laws of motion to every particle. The flow of the fluid is determined by the local averaged Navier–Stokes equations that can be solved using the traditional CFD approach. The interactions between the fluid phase and solids phase are modeled by use of Newton's third law. The inter-particle contact forces are included in the equations of motion. Soft-particle formulation is used, which allows particles to overlap. In this study DEM was used to model separate sediment grains and spherical particles laying on the bed with the aim to analyze their movement due to flow conditions. Critical shear stress causing the incipient movement of the sediment was established and compared to the available experimental data. An example of scour around a cylindrical pier is considered. Various depths of the scoured bed and flow conditions were taken into account to gain a better understanding of the erosion forces existing around bridge foundations. The decay of these forces with increasing scour depth was quantified with a ‘decay function’, which shows that particles become increasingly less likely to be set in motion by flow forces as a scour hole increases in depth. Computational and experimental examples of the scoured bed around a cylindrical pier are presented.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Wellbore Fracture Imaging Using Inflow Detection Measurements

One of the most striking measurements taken during DOE’s EGS Collab project at the 4850-foot depth location was the so-called ‘sewer cam’, which enabled direct visualization of the flow of water into the production well through fractures during the stimulation. The ability to see directly which fractures were flowing and (roughly) how much was a breakthrough in understanding the topology of the created fracture network. Achieving this kind of fracture flow imaging at FORGE would be more challenging because of the 225°C temperature, but equally or even more valuable if it could be achieved. In 2017, a joint project between Sandia and Stanford developed a downhole tool concept to measure the enthalpy of multiphase fluid entering a geothermal well from individual fractures (Gao et al., 2017). For the FORGE project, measuring enthalpy is of less interest because the fluid is expected to be single-phase liquid water. However, the foundation of the device was the measurement of chloride ion concentration, which could form the basis for a direct measurement of inflow from fractures. During the 2017 project, this novel chloride sensing system was implemented into a laboratory test instrument, and we confirmed the capability of the system to measure the ion concentration of fluid entering a model wellbore through a small entry port. The wellbore was a 6-inch diameter model well, and the port was approximately 0.08 inch (2mm) in diameter. The device could measure the chloride concentration accurately even when the well was flowing in a bubbly flow. Given its accuracy, the tool should be able to identify locations of water entering the wellbore even if the ion concentration differs only slightly from that of the water in the well. It is likely that different fractures may flow slightly different chloride concentrations, which would make it feasible to detect individual fractures as well as to estimate the volume of their flow. Ultimately, we could also recognize different fractures flowing back significantly different ion concentrations after fracturing in the FORGE wells. This could be realized by adding different ions in the fracturing fluids in different fractures created at different stages of stimulation (and modifying the tool to include different ion specificity). Sandia’s tool was shown during the study to have the capability to withstand the 225°C temperature, and the electrochemical sensing elements were tested in the laboratory to 225°C at 1500 psia for 24 hours. An early implementation of the fully integrated downhole electrochemical tool, including high-temperature electronics, robust housing, and wireline truck interface, had previously been constructed and tested successfully at Sandia; thus, hardware development tasks focused on advancing the technology readiness level (TRL) of this promising technology for FORGE deployment, rather than on developing a new scientific basis for its operation. The data collection electronics in this tool allowed for several other sensors (pressure, temperature, flow spinner) to be implemented in parallel as well. The research was a new collaboration between Stanford and Sandia to modify and refine the tool for FORGE deployment, to make the downhole measurements, and to characterize the evolving fractures.

15 GEOTHERMAL ENERGY↗

DOE OSTI2015

Lattice Boltzmann simulation of immiscible fluid displacement in porous media: Homogeneous versus heterogeneous pore network

Injection of anthropogenic carbon dioxide (CO{sub 2}) into geological formations is a promising approach to reduce greenhouse gas emissions into the atmosphere. Predicting the amount of CO{sub 2} that can be captured and its long-term storage stability in subsurface requires a fundamental understanding of multiphase displacement phenomena at the pore scale. In this paper, the lattice Boltzmann method is employed to simulate the immiscible displacement of a wetting fluid by a non-wetting one in two microfluidic flow cells, one with a homogeneous pore network and the other with a randomly heterogeneous pore network. We have identified three different displacement patterns, namely, stable displacement, capillary fingering, and viscous fingering, all of which are strongly dependent upon the capillary number (Ca), viscosity ratio (M), and the media heterogeneity. The non-wetting fluid saturation (S{sub nw}) is found to increase nearly linearly with logCa for each constant M. Increasing M (viscosity ratio of non-wetting fluid to wetting fluid) or decreasing the media heterogeneity can enhance the stability of the displacement process, resulting in an increase in S{sub nw}. In either pore networks, the specific interfacial length is linearly proportional to S{sub nw} during drainage with equal proportionality constant for all cases excluding those revealing considerable viscous fingering. Our numerical results confirm the previous experimental finding that the steady state specific interfacial length exhibits a linear dependence on S{sub nw} for either favorable (M ≥ 1) or unfavorable (M < 1) displacement, and the slope is slightly higher for the unfavorable displacement.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1972

Research on turbojet combustor pollutant formation

The research for developing a modular computer program for describing gas-turbine combustor flow and chemical fields is reported. The status of investigations is presented for three key elements of the unified model: turbulent mixing with swirl, turbulent mixing with swirl including finite-rate kinetics, and multiphase recirculation zone analysis

Source record↗

NASA NTRS1993

In-flight pressure distributions and skin-friction measurements on a subsonic transport high-lift wing section

Flight experiments are being conducted as part of a multiphased subsonic transport high-lift research program for correlation with wind-tunnel and computational results. The NASA Langley Transport Systems Research Vehicle (B737-100 aircraft) is used to obtain in-flight flow characteristics at full-scale Reynolds numbers to contribute to the understanding of 3-D high-lift, multi-element flows including attachment-line transition and relaminarization, confluent boundary-layer development, and flow separation characteristics. Flight test results of pressure distributions and skin friction measurements were obtained for a full-chord wing section including the slat, main-wing, and triple-slotted, Fowler flap elements. Test conditions included a range of flap deflections, chord Reynolds numbers (10 to 21 million), and Mach numbers (0.16 to 0.40). Pressure distributions were obtained at 144 chordwise locations of a wing section (53-percent wing span) using thin pressure belts over the slat, main-wing, and flap elements. Flow characteristics observed in the chordwise pressure distributions included leading-edge regions of high subsonic flows, leading-edge attachment-line locations, slat and main-wing cove-flow separation and reattachment, and trailing-edge flap separation. In addition to the pressure distributions, limited skin-friction measurements were made using Preston-tube probes. Preston-tube measurements on the slat upper surface suggested relaminarization of the turbulent flow introduced by the pressure belt on the slat leading-edge surface when the slat attachment line was laminar. Computational analysis of the in-flight pressure measurements using two-dimensional, viscous multielement methods modified with simple-sweep theory showed reasonable agreement. However, overprediction of the pressures on the flap elements suggests a need for better detailed measurements and improved modeling of confluent boundary layers as well as inclusion of three-dimensional viscous effects in the analysis.

Yip, Long P.↗

DOE OSTI2020

Relative Permeability for Offshore Enhanced Oil Recovery

Relative permeability (kr ) is the description of multiphase transport through porous media that is most widely accepted and utilized to scale relationships up to the field scale through simulations. Previous research at NETL has shown a dependence of kr on the flow rates and porous media structure that is poorly captured in most descriptions of this process. Our project was originally scoped to be a 3-year project to (2019-2021): (1) determine if this poor literature description is true for offshore EOR; (2) collect data on the generation of relevant kr curves for offshore EOR; and (3) distribute this collected data, methodology and resultant curves.

Crandall, Dustin↗