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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Construction of an Exact Pressure-Equilibrium Scheme for the Five-Equation Two-Phase Flow Model With Thermal Relaxation

Numerical simulation of compressible multiphase flows based on the four-equation (homogeneous relaxation) model is known to suffer from two fundamental difficulties with (a) wave propagation and (b) pressure equilibrium preservation. First, the mixture sound speed exhibits non-monotonic dependency with respect to the volume fraction, which leads to robustness issues in the resolution of shocks and acoustic wave propagation across two-phase regions. This difficulty can be mitigated by solving Allaire’s five-equation model augmented with infinitely fast phasic temperature equilibrium, from which solutions of the four-equation model can be recovered. However, when temperature is non-uniform, this augmented five-equation formulation still fails to preserve pressure equilibrium across material interfaces. In this work, we propose a fully conservative numerical scheme that exactly preserves pressure equilibrium at the discrete level for the augmented five-equation model, for arbitrary initial distributions of temperature and volume fraction. Combined with the monotonic sound speed property of the five-equation formulation, the proposed pressure-equilibrium preserving scheme significantly improves robustness in the presence of strong multiphase interactions, including shock–interface interactions and advection of material interfaces.

ESG↗
DOE OSTI2017

New insights on the complex dynamics of two-phase flow in porous media under intermediate-wet conditions

Multiphase flow in porous media is important in a number of environmental and industrial applications such as soil remediation, CO 2 sequestration, and enhanced oil recovery. Wetting properties control flow of immiscible fluids in porous media and fluids distribution in the pore space. In contrast to the strong and weak wet conditions, pore-scale physics of immiscible displacement under intermediatewet conditions is less understood. This study reports the results of a series of two-dimensional highresolution direct numerical simulations with the aim of understanding the pore-scale dynamics of twophase immiscible fluid flow under intermediate-wet conditions. Our results show that for intermediatewet porous media, pore geometry has a strong influence on interface dynamics, leading to co-existence of concave and convex interfaces. Intermediate wettability leads to various interfacial movements which are not identified under imbibition or drainage conditions. These pore-scale events significantly influence macro-scale flow behaviour causing the counter-intuitive decline in recovery of the defending fluid from weak imbibition to intermediate-wet conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

On the dynamics and kinematics of two-fluid-phase flow in porous media

A model formulated in terms of both conservation and kinematic equations for phases and interfaces in two-fluid-phase flow in a porous medium system is summarized. Macroscale kinematic equations are derived as extensions of averaging theorems and do not rely on conservation principles. Models based on both conservation and kinematic equations can describe multiphase flow with varying fidelity.When only phase-based equations are considered, a model similar in form to the traditional model for two-fluid-phase flow results. When interface conservation and kinematic equations are also included, a novel formulation results that naturally includes evolution equations that express dynamic changes in fluid saturations, pressures, the capillary pressure, and the fluid-fluid interfacial area density in a two-fluid-system. This dynamic equation set is unique to this work, and the importance of the modeled physics is shown through both microfluidic experiments and high-resolution lattice Boltzmann simulations. The validation work shows that the relaxation of interface distribution and shape toward an equilibrium state is a slow process relativeto the time scale typically allowed for a system to approach an apparent equilibrium state based upon observations of fluid saturations and external pressure measurements. Consequently, most pressure-saturation data intended to denote an equilibrium state are likely a sampling from a dynamic system under-going changes of interfacial curvatures that are not typically monitored. The results confirm the importance of kinematic analysis in combination with conservation equations for faithful modeling of system physics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Data Driven Smart Proxy for CFD: Application of Big Data Analytics & Machine Learning in Computational Fluid Dynamics (Part 1)

Simulation technologies can reduce the time and cost of the development and deployment of advanced technologies and allow rapid scale-up of these technologies for fossil fuel based energy systems. However, to ensure their usefulness in practice, the credibility of the simulations needs to be established with Uncertainty Quantification (UQ) methods. National Energy Technology Laboratory (NETL) has been applying non-intrusive UQ methodologies to categorize and quantify uncertainties in CFD simulations of gas-solid multiphase flows. To reduce the computational cost associated with gas-solid flow simulations required for UQ analysis, techniques commonly used in the area of Artificial Intelligence (AI) and Data Mining (DM) are used to construct smart proxy models, which can reduce the computational cost of conducting large number of multiphase CFD simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

A finite-volume HLLC-based scheme for compressible interfacial flows with surface tension

Shock waves are often used in experiments to create a shear flow across liquid droplets to study secondary atomization. Similar behavior occurs inside of supersonic combustors (scramjets) under startup conditions, but it is challenging to study these conditions experimentally. In order to investigate this phenomenon further, a numerical approach is developed to simulate compressible multiphase flows under the effects of surface tension forces. The flow field is solved via the compressible multicomponent Euler equations (i.e., the five equation model) discretized with the finite volume method on a uniform Cartesian grid. The solver utilizes a total variation diminishing (TVD) third-order Runge–Kutta method for time-marching and second order TVD spatial reconstruction. Surface tension is incorporated using the Continuum Surface Force (CSF) model. Fluxes are upwinded with a modified Harten–Lax–van Leer Contact (HLLC) approximate Riemann solver. An interface compression scheme is employed to counter numerical diffusion of the interface. The present work includes modifications to both the HLLC solver and the interface compression scheme to account for capillary force terms and the associated pressure jump across the gas–liquid interface. A simple method for numerically computing the interface curvature is developed and an acoustic scaling of the surface tension coefficient is proposed for the non-dimensionalization of the model. The model captures the surface tension induced pressure jump exactly if the exact curvature is known and is further verified with an oscillating elliptical droplet and Mach 1.47 and 3 shock-droplet interaction problems. The general characteristics of secondary atomization at a range of Weber numbers are also captured in a series of simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Numerical analysis of bipropellant combustion in liquid thrust chambers by an Eulerian-Eulerian approach

The liquid thrust chambers performance (LTCP) code is used for parametric studies of flow and combustion in liquid rocket engines. Multiphase flow equations are solved in an Eulerian-Eulerian framework, and multistep finite rate chemistry is incorporated. The discretization scheme is fully implicit and is based on the total variation diminishing (TVD) scheme, which is accurate, robust, very efficient and capable of handling steep gradients and stiff chemistry. Effects of injection velocity and chamber size have been considered, and the effect of group combustion on the evaporation rate has been studied for a dense spray.

Dang, A. L.↗
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 OSTI2018

Depressurization-Induced Fines Migration in Sediments Containing Methane Hydrate: X-Ray Computed Tomography Imaging Experiments

Depressurization of hydrate-bearing sediments (HBS) can cause the movement of fine particles, and in turn, such fines migration affects fluid flow and mechanical behavior of sediments, ultimately affecting long-term hydrocarbon production and wellbore stability. In this work, we investigate how and to what extent depressurization of HBS causes fines migration using X-ray computed tomography (CT) imaging. Methane hydrate was synthesized in sediments with 10% fines content (FC), composed of sands with silt and/or clay, and the hydrate-bearing samples were stepwisely depressurized while acquiring CT images. The CT images were analyzed to quantify the spatial changes in FC in the host sediment and thus to capture the fines migration during depressurization. It was found that the FC changes began occurring from the hydrate dissociation regions. This confirms that the multiphase flow caused by depressurization accompanies fines migration. Depressurization of HBS with a hydrate saturation of ~20–40% caused FC reduction from ~10% to ~6–9%, and the extent of fines migration differed with the particle sizes of the host sands and the types of fines. It was found that fines migration was more pronounced with coarse sands and with silty fines. Such observed level of FC reduction is estimated to increase sediment permeability by several factors based on the Kozeny-type permeability model. In conclusion, our results support the notion that the extent of fines migration and its effect on fluid flow behavior need to be assessed in consideration of physical properties of host sediment and fine particles to identify optimum depressurization strategies.

42 ENGINEERING↗
DOE OSTI2017

Development Optimization and Uncertainty Analysis Methods for Oil and Gas Reservoirs

Uncertainty complicates the development optimization of oil and gas exploration and production projects, but methods have been devised to analyze uncertainty and its impact on optimal decision-making. This paper compares two methods for development optimization and uncertainty analysis: Monte Carlo (MC) simulation and stochastic programming. Two example problems for a gas field development and an oilfield development are solved and discussed to elaborate the advantages and disadvantages of each method. Development optimization involves decisions regarding the configuration of initial capital investment and subsequent operational decisions. Uncertainty analysis involves the quantification of the impact of uncertain parameters on the optimum design concept. The gas field development problem is designed to highlight the differences in the implementation of the two methods and to show that both methods yield the exact same optimum design. The results show that both MC optimization and stochastic programming provide unique benefits, and that the choice of method depends on the goal of the analysis. While the MC method generates more useful information, along with the optimum design configuration, the stochastic programming method is more computationally efficient in determining the optimal solution. Reservoirs comprise multiple compartments and layers with multiphase flow of oil, water, and gas. We present a workflow for development optimization under uncertainty for these reservoirs, and solve an example on the design optimization of a multicompartment, multilayer oilfield development.

02 PETROLEUM↗
DOE OSTI2022

Modeling atomically mixed graded density impactors

Graded density impactors (GDIs) are multi-material composite impactors used in gas gun experiments to tailor the drive conditions imparted to a sample test material. Previous graded density impactors generally rely on thin, but discrete, layers of different materials. The thinner and the greater number of layers will result in smoother compression. Taken to the limit of very thin layers would be pure material 1 at one surface, such as the front surface of an impactor, smoothly transitioning at the atomic scale to pure material 2 on the back surface. Such an impactor can initially shock, then smoothly compresses a material during a dynamic experiment. This type of experiment can serve to explore a larger region of thermodynamic space than a single or even multi-shock experiments. An overview of how graded density impactors are made is reviewed and sample results are given. Additionally, a strategy for modeling these kinds of impactors is presented. The length scales of constituent mixing are given from the experimental build through electrochemical-deposition. Equation of state models for pure constituents and their subsequent mixtures are presented. It is demonstrated that the time scales for pressure and temperature equilibration, for atomically mixed GDIs, are short enough to be a justifiable closure for the resulting multiphase flow. Furthermore, we present simulation results of dynamic shock followed by a ramp compression, utilizing a silver/gold graded density impactor, onto a tantalum sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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 OSTI2019

Adsorption and Capillary Condensation-Induced Imbibition in Nanoporous Media

Multiphase flow phenomena in nanoporous media are encountered in many science and engineering applications. Shales, for example, possessing complex nanopore networks, have considerable importance as source rocks for unconventional oil and gas production and as low-permeability seals for geologic carbon sequestration or nuclear waste disposal. This work presents a theoretical investigation of the processes controlling adsorption, capillary condensation, and imbibition in such nanoporous media, with a particular focus on understanding the effects of fluid-fluid and fluid-pore wall interaction forces in the interconnected nanopore space. Building on a new theoretical framework, we developed a numerical model for the multiphase nanoporous flow and tested it against water vapor uptake measurements conducted on a shale core sample. The model, which is based on the density functional approach, explicitly includes the relevant interaction forces among fluids and solids while allowing for a continuum representation of the porous medium. The experimental data include gravimetrically measured mass changes in an initially dry core sample exposed to varying levels of relative humidity, starting with a low relative humidity (rh = 0.31) followed by a period of a higher relative humidity (rh = 0.81). During this process, water vapor uptake in the dry core is recorded as a function of time. Our model suggests that, under low rh conditions, the flow within the shale sample is controlled by adsorption- and diffusion-type processes. After increasing the rh to 0.81, the uptake of water vapor becomes more significant, and according to our model, this can be explained by capillary condensation followed by immiscible displacement in the core sample. It appears that strong fluid-pore wall attractive forces cause condensation near the inlet, which then induces water imbibition further into sample.

58 GEOSCIENCES↗
DOE OSTI2022

Transient simulation of biomass combustion in a circulating fluidized bed riser

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has sky-rocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing, which results in higher combustion efficiency and the ability to use lower rank fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions, while SO 2 emissions can be conveniently controlled through the addition of Ca-based sulfur sorbents within the combustor. Herin this paper summarizes the modeling effort on a 50 kW th CFB combustor designed, built, and operated at CanmetENERGY in Ottawa, Canada. The numerical model employs the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The MFiX-PIC model parameters for the simulation are tuned against cold-flow experiments from CanmetENERGY using olivine sand as the inert bed material. It is shown that for the relatively coarse fluid meshes and large parcel sizes necessitated by the scale of the simulation, filter size dependent corrections to the drag law must be incorporated to ensure accuracy of the simulation results. The validated cold flow model is extended to simulate reacting flow with torrefied hardwood as the feedstock and to validate the combustion reaction scheme. The species concentrations at the riser outlet are compared against CanmetENERGY’s experiments and show satisfactory agreement. The simulations demonstrate the ability of MFiX-PIC to accurately capture both the physics and chemistry of a CFB combustor at bench scales, which can be further extended to pilot- and industrial-scale systems.

09 BIOMASS FUELS↗
DOE OSTI2018

A two-phase mixing layer between parallel gas and liquid streams: multiphase turbulence statistics and influence of interfacial instability

The two-phase mixing layer formed between parallel gas and liquid streams is an important fundamental problem in turbulent multiphase flows. The problem is relevant to many industrial applications and natural phenomena, such as air-blast atomizers in fuel injection systems and breaking waves in the ocean. The velocity difference between the gas and liquid streams triggers an interfacial instability which can be convective or absolute depending on the stream properties and injection parameters. In the present study, a direct numerical simulation of a two-phase gas–liquid mixing layer that lie in the absolute instability regime is conducted. A dominant frequency is observed in the simulation and the numerical result agrees well with the prediction from viscous stability theory. As the interfacial wave plays a critical role in turbulence transition and development, the temporal evolution of turbulent fluctuations (such as the enstrophy) also exhibits a similar frequency. To investigate the statistical response of the multiphase turbulence flow, the simulation has been run for a long physical time so that time-averaging can be performed to yield the statistically converged results for Reynolds stresses and the turbulent kinetic energy (TKE) budget. An extensive mesh refinement study using from 8 million to about 4 billions cells has been performed. The turbulent dissipation is shown to be highly demanding on mesh resolution compared with other terms in TKE budget. The results obtained with the finest mesh are shown to be close to converged results of turbulent dissipation which allow us to obtain estimations of the Kolmogorov and Hinze scales. The estimated Kolmogorov scale is found to be similar to the cell size of the finest mesh used here. The computed Hinze scale is significantly larger than the size of droplets observed and does not seem to be a relevant length scale to describe the smallest size of droplets formed in atomization.

Mechanics↗
DOE OSTI2017

Modernization and optimization of a legacy open-source CFD code for high-performance computing architectures

Legacy codes remain a crucial element of today's simulation-based engineering ecosystem due to the extensive validation process and investment in such software. The rapid evolution of high-performance computing architectures necessitates the modernization of these codes. One approach to modernization is a complete overhaul of the code. However, this could require extensive investments, such as rewriting in modern languages, new data constructs, etc., which will necessitate systematic verification and validation to re-establish the credibility of the computational models. The current study advocates using a more incremental approach and is a culmination of several modernization efforts of the legacy code MFIX, which is an open-source computational fluid dynamics code that has evolved over several decades, widely used in multiphase flows and still being developed by the National Energy Technology Laboratory. Two different modernization approaches,‘bottom-up’ and ‘top-down’, are illustrated. Here, preliminary results show up to 8.5x improvement at the selected kernel level with the first approach, and up to 50% improvement in total simulated time with the latter were achieved for the demonstration cases and target HPC systems employed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Additively manufactured multiplexed inertial coalescence filters

Multiphase flows often pose a significant challenge to the efficient and reliable design of thermofluidic systems. This paper describes multiplexed inertial coalescence filters composed of parallel helical pathways, designed to capture fine droplets (<40 µm) through inertial separation while maintaining a low pressure drop (<400 Pa). Filtration efficiencies for 7 µm and 30 µm droplets were characterized for varying flow conditions, with complete capture observed above a threshold flow rate. Models for filtration efficiency and pressure drop were developed and validated against experimental results to allow system design and optimization, enabled by the tunable additive manufacturing approach used to fabricate the filters. Filter quality factor was computed for varying droplet sizes, showcasing exceptional quality factor when compared to state-of-the-art filters documented in the literature. In conclusion, this multiplexed inertial coalescence filtration approach could find use in dehumidification systems, fog harvesting, chemical reactors, and microgravity droplet capture.

3D Printing↗