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All sources NASA NTRS DOE OSTI

DOE OSTI2019

Simulating bubble dynamics in a buoyant system

Summary Multiphase flows are critical components of many physical systems; however, numerical models of multiphase flows with large parameter gradients can be challenging. Here, two different numerical methods, volume of fluid (VOF) and smoothed particle hydrodynamics (SPH), are used to model the buoyant rise of isolated gas bubbles through quiescent fluids for a range of Bond and Reynolds numbers. The VOF is an Eulerian grid–based method, whereas the SPH is Lagrangian and mesh free. Each method has unique strengths and weaknesses, and a comparison of the two approaches as applied to multiphase phenomena has not previously been performed. The VOF and SPH simulations are compared, verified, and validated. Results using two‐dimensional VOF and SPH simulations are similar to each other and are able to reproduce numerical benchmarks and experimental results for sufficiently large Morton and Reynolds numbers. It is also shown that at low Reynolds numbers, the two methods, SPH and VOF, diverge in the transient regime of the bubble rise. Regimes that require simulations capable of representing three‐dimensional drag are identified as well as regimes in which results from VOF and SPH diverge.

Arai, Erin↗

DOE OSTI2020

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

42 ENGINEERING↗

DOE OSTI2021

Sensitivity Analysis of Particle-In-Cell Modeling Parameters in Settling Bed, Bubbling Fluidized Bed and Circulating Fluidized Bed

The objective of the work presented is to perform a preliminary sensitivity analysis of particle-in-cell (PIC) model parameters when applied to settling bed, bubbling fluidized bed, and circulating fluidized bed simulations. These examples correspond to widely different flow conditions commonly seen in chemical engineering applications. Simulations were performed using the PIC method in the open-source software Multiphase Flow with Interphase eXchanges (MFiX) developed by the National Energy Technology Laboratory (NETL). As part of the non-intrusive uncertainty quantification (UQ) analysis, simulation campaigns were generated using Nodeworks. Sampling locations or settings for PIC model parameters were determined using the Latin Hypercube method. Response surfaces were created using radial basis functions (RBF), and Sobol’ indices were estimated to quantify the influence of model parameters on the quantities of interest (QoI). This study marks a first step towards systematically determining optimal ranges for model parameters used in MFiX-PIC. Based on limited experience, it is expected that these values would depend strongly on flow conditions. Given the complexity of the multiphase flow systems under analysis, a non-intrusive UQ based approach is used to identify the most influential parameters in each case. This prior knowledge will help in proposing an effective design of experiments (DoE) and determine optimal parameters through techniques such as deterministic or Bayesian calibration, which will be pursued in the future.

42 ENGINEERING↗

NASA NTRS2004

Granular Material Flows with Interstitial Fluid Effects

The research focused on experimental measurements of the rheological properties of liquid-solid and granular flows. In these flows, the viscous effects of the interstitial fluid, the inertia of the fluid and particles, and the collisional interactions of the particles may all contribute to the flow mechanics. These multiphase flows include industrial problems such as coal slurry pipelines, hydraulic fracturing processes, fluidized beds, mining and milling operation, abrasive water jet machining, and polishing and surface erosion technologies. In addition, there are a wide range of geophysical flows such as debris flows, landslides and sediment transport. In extraterrestrial applications, the study of transport of particulate materials is fundamental to the mining and processing of lunar and Martian soils and the transport of atmospheric dust (National Research Council 2000). The recent images from Mars Global Surveyor spacecraft dramatically depict the complex sand and dust flows on Mars, including dune formation and dust avalanches on the slip-face of dune surfaces. These Aeolian features involve a complex interaction of the prevailing winds and deposition or erosion of the sediment layer; these features make a good test bed for the verification of global circulation models of the Martian atmosphere.

Hunt, Melany L.↗

DOE OSTI2022

Potential Seismicity Along Basement Faults Induced by Geological Carbon Sequestration

Large-scale CO 2 sequestration into geological formations has been suggested to reduce CO 2 emissions from industrial activities. However, much like enhanced geothermal stimulation and wastewater injection, CO 2 sequestration has a potential to induce earthquake along weak faults, which can be considered a negative impact on safety and public opinion. This research shows the physical mechanisms of potential seismic hazards along basement faults driven by CO 2 sequestration under variation in geological and operational constraints. Specifically we compare the poroelastic behaviors between multiphase flow and single-phase flow cases, highlighting specific needs of evaluating induced seismicity associated with CO 2 sequestration. In contrast to single-phase injection scenario, slower migration of the CO 2 plume than pressure pulse may delay accumulation of pressure and stress along basement faults that may not be mitigated immediately by shut-in of injection. The impact of multiphase flow system, therefore, needs to be considered for proper monitoring and mitigation strategies.

58 GEOSCIENCES↗

DOE OSTI2014

Compressible, multiphase semi-implicit method with moment of fluid interface representation

A unified method for simulating multiphase flows using an exactly mass, momentum, and energy conserving Cell-Integrated Semi-Lagrangian advection algorithm is presented. The deforming material boundaries are represented using the moment-of-fluid method. Our new algorithm uses a semi-implicit pressure update scheme that asymptotically preserves the standard incompressible pressure projection method in the limit of infinite sound speed. The asymptotically preserving attribute makes the new method applicable to compressible and incompressible flows including stiff materials; enabling large time steps characteristic of incompressible flow algorithms rather than the small time steps required by explicit methods. Moreover, shocks are captured and material discontinuities are tracked, without the aid of any approximate or exact Riemann solvers. As a result, wimulations of underwater explosions and fluid jetting in one, two, and three dimensions are presented which illustrate the effectiveness of the new algorithm at efficiently computing multiphase flows containing shock waves and material discontinuities with large “impedance mismatch.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Multiphase Reacting Flow Simulations and Optimization of Commercial-Scale Aerobic Bioreactors

Aerobic bioreactors are widely used in the synthesis of value-added products in pharmaceutical and biotechnology industries, wherein microbial bioreactions aid in the conversion of sugars to macromolecules. These reactors are also being actively investigated as a cost-effective pathway for the production of low-value commodities such as biofuels and animal feed. Reactor scale-up is one of the important challenges when designing these systems. Gas and liquid phase transport, mass-transfer, and mixing physics at large length scales can significantly affect microbial conversion rates, particularly when the microbial reaction requires a narrow set of conditions. These phenomena are difficult to study in small-scale bench-top reactors that are typically well-mixed. Predictive computational fluid dynamics (CFD) based simulations can therefore aid in the design and optimization of these reactors. This work presents multiphase Euler-Euler CFD simulations of commercial-scale (~ 500 m3) aerobic bioreactors. Our mathematical model treats the gas and liquid as interpenetrating phases. This approach reduces the computational complexity of tracking individual gas bubbles that are several orders of magnitude smaller than reactor dimensions. We solve the Reynolds averaged Navier-Stokes (RANS) multiphase equations that account for phase and chemical species transport, interphase mass and momentum transfer and uses a phenomenological model for oxygen uptake by microbes. We use a customized solver derived from open-source CFD toolbox, OpenFOAM, to perform these simulations, which has been validated against small-scale reactors in our previous work. This work examines the performance of three different reactor designs, viz. bubble column reactor, airlift reactor with an internal draft tube, and a stirred-tank reactor with Rushton impellers. Reactor oxygen mass-transfer coefficient, gas hold-up, and oxygen distribution are critically analyzed among reactors, and sensitivity studies pertaining to gas flow rates and reactor geometry will be presented.

09 BIOMASS FUELS↗

DOE OSTI2021

Sensitivity Analysis of MFiX-PIC Parameters Using Nodeworks, PSUADE, and DAKOTA

The study presented in this report was aimed to demonstrate UQ analysis performed not only with Nodeworks, but also two other well-established UQ software tools from the U.S. DOE’s National Laboratories (PSUADE from Lawrence Livermore National Laboratory and DAKOTA from Sandia National Laboratory). It is important to emphasize that the motivation of this study was not to determine the best UQ software, but to verify if the global sensitivity analyses from the end-to-end workflow in Nodeworks are consistent with the results of other two UQ software. The components of Nodeworks from Python’s ecosystem have been tested as standalone libraries. However, an assessment study for the complete workflow targeting a specific UQ analysis has not been performed for Nodeworks. Hence, this study is expected to serve as an equivalent of solution verification for Nodeworks using other established UQ tools as reference solution. For this purpose, three distinct flow configurations (i.e., settling bed, bubbling fluidized, and circulating fluidized bed) have been used as representative multiphase flow problems of interest. The results of the systematic simulation campaigns performed in an earlier study using the particle-in-cell (PIC) approach in the Multiphase Flow with Interphase eXchanges (MFIX) suite of solvers (i.e., MFiX-PIC) was utilized. The same set of tabulated results was provided as input to the different UQ software for global sensitivity analysis. Results for the three cases indicate that based on the Sobol’ Sensitivity Indices method the order of importance ranking determined by Nodeworks for the Sobol’ Total Sensitivity Indices is consistent with PSUADE and DAKOTA in each case for the five model parameters considered. The input files for Nodeworks for the three cases are also shared through NETL’s Gitlab repository for the reader interested in reproducibility and further analysis (See Section 1.2).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Modeling Efforts to Gain Insight into Historical Leak Events from the Single-Shell Tank A-105 in the Hanford 241-A Tank Farm - 20113

The 241-A Tank Farm is a single-shell tank (SST) farm constructed to store process waste from Hanford nuclear operations. Millions of gallons of nuclear waste were stored in the 241-A Tank Farm SSTs and some of the SSTs leaked in the past. In addition, spills and pipeline leaks during transfers and storage and intentional discharges to cribs and trenches resulted in releasing waste to the ground. Tank liner leaks are referred to as 'leaks' and all other discharges to the soil are referred to as 'releases.' Liquid waste that could be removed by pumping has been removed from all of the SSTs to reduce the potential for future leaks. The most significant historical leak event in 241-A Tank Farm occurred in 1965 when tank A-105 experienced a pressurized steam event. This event resulted in damage to the inner steel liner flooring of A-105, which was separated from the sidewalls over part of its circumference and buckled up to 2.5 m, vertically. During this event up to 7,570 L of contaminated liquid may have leaked to the adjacent soil. This leak occurred under extreme temperature and pressure conditions. Modeling efforts to better understand the nature and extent of historical leaks from subsurface SSTs that were used to store highly radioactive, self-boiling liquid wastes at 241-A Tank Farm have recently been undertaken. These efforts have compiled the available historical information to support a preliminary non-isothermal, multiphase flow and chemical transport modeling effort to re-create the conditions under which the leaks occurred and to formulate a conceptual model as to the extent and distribution of leaked radioactive contaminants in the adjacent soil material. The focus of this work was on developing an understanding of the key features, processes and bounding conditions related to tank A-105 leak events that occurred in the 1960's. The activities include estimation of leak composition, non-isothermal multiphase flow and transport modeling, and geochemical modeling. The STOMP{sup C} Water-Air-Energy modeling code was utilized to implement the three-dimensional representation of the subsurface tank and the surrounding flow field. Once constructed, the model was used to evaluate the conceptual understanding of leaks originating from different parts of the tank under the elevated temperature boundary conditions that were imposed by surrounding tanks at the time of the historical leaks. The chemical evolution of the liquid waste was also evaluated as it leaked from the tank under transient pressure and temperature gradients. The results of the preliminary evaluation suggested the presence of a heat-pipe effect beneath tank A-105 in which water vapor at an elevated temperature is driven away from the base of the tank to a position where water vapor cools, condenses and is then drawn back toward the tank by the strong capillary attraction of the dry soil. A non-sorbing contaminant (Tc-99) was introduced into this flow field to better understand the potential distribution patterns of leaked contaminants that may have occurred during the historical leak events. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Impact of Three-Phase Relative Permeability and Hysteresis Models on Forecasts of Storage Associated With CO 2 -EOR

Geological CO 2 sequestration in conjunction with enhanced oil recovery (CO 2 -EOR) includes complex multiphase flow processes compared to CO 2 storage in deep saline aquifers. Two of the most critical factors affecting multiphase flow in CO 2 -EOR are three-phase relative permeability and associated hysteresis, both of which are difficult to measure and are usually represented by numerical interpolation models. The purpose of this research is to improve understanding of (1) the relative impacts of different three-phase relative permeability models and hysteresis models on CO 2 trapping mechanisms, and (2) uncertainty associated with these two factors. Four different three-phase relative permeability models and three hysteresis models were applied to simulations of an active CO 2 -EOR site, the SACROC unit located in western Texas. To eliminate potential bias of deterministic parameters, we utilized a sequential Gaussian simulation technique to generate 50 realizations to describe heterogeneity of porosity and permeability, based on data obtained from well logs and seismic survey. Simulation results of forecasted CO 2 storage suggested that (1) the choice of three-phase relative permeability model and hysteresis model led to noticeable impacts on forecasted CO 2 sequestration capacity; (2) impacts of three-phase relative permeability models and hysteresis models on CO 2 trapping are small during the CO 2 -EOR injection period, and increase during the post-EOR CO 2 injection period; (3) the specific choice of hysteresis model is more important relative to the choice of three-phase relative permeability model; and (4) using the recommended three-phase WAG (Water-Alternating-Gas) hysteresis model may increase the impact of three-phase relative permeability models and uncertainty due to heterogeneity.

42 ENGINEERING↗

DOE OSTI2018

Load-Flow in Multiphase Distribution Networks: Existence, Uniqueness, Non-Singularity, and Linear Models

This paper considers unbalanced multiphase distribution systems with generic topology and different load models, and extends the Z-bus iterative load-flow algorithm based on a fixed-point interpretation of the AC load-flow equations. Explicit conditions for existence and uniqueness of load-flow solutions are presented. These conditions also guarantee convergence of the load-flow algorithm to the unique solution. The proposed methodology is applicable to generic systems featuring (i) wye connections; (ii) ungrounded delta connections; (iii) a combination of wye-connected and delta-connected sources/loads; and, (iv) a combination of line-to-line and line-to-grounded-neutral devices at the secondary of distribution transformers. Further, a sufficient condition for the non-singularity of the load-flow Jacobian is proposed. Lastly, linear load-flow models are derived, and their approximation accuracy is analyzed. Theoretical results are corroborated through experiments on IEEE test feeders.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

Particle dispersion in homogeneous turbulence using the one-dimensional turbulence model

Lagrangian particle dispersion is studied using the one-dimensional turbulence (ODT) model in homogeneous decaying turbulence configurations. The ODT model has been widely and successfully applied to a number of reacting and nonreacting flow configurations, but only limited application has been made to multiphase flows. Here, we present a version of the particle implementation and interaction with the stochastic and instantaneous ODT eddy events. The model is characterized by comparison to experimental data of particle dispersion for a range of intrinsic particle time scales and body forces. Particle dispersion, velocity, and integral time scale results are presented. The particle implementation introduces a single model parameter β{sub p}, and sensitivity to this parameter and behavior of the model are discussed. Good agreement is found with experimental data and the ODT model is able to capture the particle inertial and trajectory crossing effects. These results serve as a validation case of the multiphase implementations of ODT for extensions to other flow configurations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

An integrated numerical model for coupled poro-hydro-mechanics and fracture propagation using embedded meshes

Integrated models for fluid-driven fracture propagation and general multiphase flow in porous media are valuable to the study and engineering of several systems, including hydraulic fracturing, underground disposal of waste, and geohazard mitigation across such applications. This work extends the coupled model multiphase flow and poromechanical model of Ren et al. (2018) to admit fracture propagation (FP). The coupled XFEM-EDFM scheme utilizes a separate fracture mesh that is embedded on a static background mesh. The onset and dynamics of fracture propagation are governed by the equivalent stress intensity factor (SIF) criterion. A domain-integral method (J integral) is applied to compute this information. Additionally, an adaptive time-marching scheme is proposed to rapidly restrict and grow temporal resolution to match the underlying time-scales. The proposed model is verified with analytical solutions, and shows the capability to accurately and adaptively co-simulate fluid transport and deformation as well as the propagation of multiple fractures.

42 ENGINEERING↗

DOE OSTI2024

Relative permeabilities for two-phase flow through wellbore cement fractures

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

58 GEOSCIENCES↗

DOE OSTI2016

An overview of TOUGH-based geomechanics models

After the initial development of the first TOUGH-based geomechanics model 15 years ago based on linking TOUGH2 multiphase flow simulator to the FLAC3D geomechanics simulator, at least 15 additional TOUGH-based geomechanics models have appeared in the literature. This development has been fueled by a growing demand and interest for modeling coupled multiphase flow and geomechanical processes related to a number of geoengineering applications, such as in geologic CO 2 sequestration, enhanced geothermal systems, unconventional hydrocarbon production, and most recently, related to reservoir stimulation and injection-induced seismicity. This paper provides a short overview of these TOUGH-based geomechanics models, focusing on some of the most frequently applied to a diverse set of problems associated with geomechanics and its couplings to hydraulic, thermal and chemical processes.

58 GEOSCIENCES↗

NASA NTRS1994

A model to predict the conditions for liquid drop breakup and the resultant mean fragment size

The potential significance of drop fragmentation in sprays and other propulsion-related multiphase flows has been noted in the literature. This has motivated recent experimental and theoretical works to: better understand the fundamentals of physics of drop breakup processes, and develop models of drop fragmentation suitable for use in multiphase flow codes. The works summarized below aim to contribute to both sides of this two-pronged attack.

Wert, K. L.↗

DOE OSTI2019

Impact of clays on the compressibility and permeability of sands during methane extraction from gas hydrate

Background: The quantity of methane potentially recoverable from gas hydrate is large enough to motivate federally-supported production tests in several countries, which in turn motivates studies of reservoir production efficiency. Evaluating long-term production well viability involves modeling permeability evolution in the reservoir sediments around the production well because processes reducing the flow of gas into the production well also reduce the long-term economic viability of the well. Fine particles, such as clays, exist nearly ubiquitously in the permafrost and marine settings that typically host gas hydrate, and fines reacting to fluid flow by migrating and clogging pore throats can reduce flow toward the production well. Many fines are sensitive to variations in pore-fluid chemistry, swelling in reaction to in situ pore brine being displaced by fresh water liberated from hydrates during dissociation. Additionally, fine particles tend to collect at gas/water interfaces created by the multiphase flow of gas and water. Thus, as methane and fresh water flow from the hydrate-dissociation front toward the production well, fine particles in the reservoir sands, interbedded fine-grained layers and seal layers can be swelled, migrated (or both), potentially clogging pathways and limiting flow to the production well. Objective: This project provides a quantitative basis for reservoir models to account for the impact of clays and other fine-grained material (“fines”) on reservoir compressibility and permeability, two key factors controlling the flow of gas and fluids toward a production well. This overall objective is addressed through a combination of site-specific and more generalized, fundamental science goals: Site-specific measurement goals: quantify the change in compressibility and permeability due to the reaction of fines to pore-water freshening in sediment collected during gas hydrates research expeditions (2010 UBGH2 expedition offshore eastern Korea; 2015 NGHP-02 expedition offshore eastern India). Fundamental measurements on pure fines goal: distinguish between, and quantify, mechanisms for sediment compressibility and permeability change due to physical and chemical responses of fines to the flow of freshened pore water and gas: 1) Chemical response: quantify and catalog the sensitivity of pure fines (fines with only a single component, or “endmember” fines) to pore-water chemistry, and 2) Physical response: quantify the link between fines migration and clogging during single and multiphase flow.

03 NATURAL GAS↗