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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Hierarchical calibration and validation framework of bench-scale computational fluid dynamics simulations for solvent-based carbon capture. Part 2: Chemical absorption across a wetted wall column: Original Research Article: Hierarchical calibration and validation framework of bench-scale computational fluid dynamics simulations

Part 1 of this paper presents a numerical model for non-reactive physical mass transfer across a wetted wall column (WWC). In Part 2, we improved the existing computational fluid dynamics (CFD) model to simulate chemical absorption occurring in a WWC as a bench-scale study of solvent-based carbon dioxide (CO 2 ) capture. In this study, to generate data for WWC model validation, CO 2 mass transfer across a monoethanolamine (MEA) solvent was first measured on a WWC experimental apparatus. The numerical model developed in this work can account for both chemical absorption and desorption of CO 2 in MEA. In addition, the overall mass transfer coefficient predicted using traditional/empirical correlations is conducted and compared with CFD prediction results for both steady and wavy falling films. A Bayesian statistical calibration algorithm is adopted to calibrate the reaction rate constants in chemical absorption/desorption of CO 2 across a falling film of MEA. The posterior distributions of the two transport properties, i.e., Henry's constant and gas diffusivity in the non-reacting nitrous oxide (N 2 O)/MEA system obtained from Part 1 of this study, serves as priors for the calibration of CO 2 reaction rate constants after using the N 2 O/CO 2 analogy method. Finally, the calibrated model can be used to predict the CO 2 mass transfer in a WWC for a wider range of operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Non-local model for surface tension in fluid-fluid simulations

We propose a non-local model for surface tension obtained in the form of an integral of a molecular-force-like function with support 3.5e added to the Navier-Stokes momentum conservation equation. We demonstrate analytically and numerically that with the non-local model interfaces with a radius of curvature larger than the support length behave macroscopically and microscopically, otherwise. For static droplets, the pressure difference Pe,in - Pe,out satisfies the Young-Laplace law for droplet radius greater than 3.5e and other- wise deviates from the Young-Laplace law. The latter indicates that the surface tension in the proposed model decreases with decreasing radius of curvature, which agrees with molecular dynamics and experimental studies of nanodroplets. Using the non-local model we perform numerical simulations of droplets under dynamic conditions, including a rising droplet, a droplet in shear flow, and two colliding droplets in shear flow, and compare results with a standard Navier-Stokes model subject to the Young-Laplace boundary condition at the fluid-fluid interface implemented via the Conservative Level Set (CLS) method. We find good agreement with existing numerical methods and analytical results for a rising macroscopic droplet and a droplet in a shear flow. For colliding droplets in shear flow, the non- local model converges (with respect to the grid size) to the correct behavior, including sliding, coalescence, and merging and breaking of two droplets depending on the capillary number. In contrast, we find that the results of the CLS model are highly grid-size dependent.

Howard, Amanda A.↗
DOE OSTI2018

Modulating factors of hydrologic exchanges in a large-scale river reach: Insights from three-dimensional computational fluid dynamics simulations

Hyporheic exchange is a critical mechanism shaping hydrological and biogeochemical processes along a river corridor. Recent studies on quantifying the hyporheic exchange were mostly limited to local scales due to field inaccessibility, computational demand, and complexity of geomorphology and subsurface geology. Surface flow conditions and subsurface physical properties are well known factors on modulating the hyporheic exchange, but quantitative understanding of their impacts on the strength and direction of hyporheic exchanges at reach scales is absent. In this study, a high resolution computational fluid dynamics (CFD) model that couples surface and subsurface flow and transport is employed to simulate hyporheic exchanges in a 7-km long reach along the main-stem of the Columbia River. Assuming that the hyporheic exchange does not affect surface water flow conditions due to its negligible magnitude compared to the volume and velocity of river water, we developed a one-way coupled surface and subsurface water flow model using the commercial CFD software STAR-CCM+. The model integrates the Reynolds-averaged Navier-Stokes (RANS) equation solver with a realizable k-e two-layer turbulence model, a two-layer all y^+ wall treatment, and the volume of fluid (VOF) method, and is used to simulate hyporheic exchanges by tracking the free water-air interface as well as flow in the river and the subsurface porous media. The model is validated against measurements from acoustic Doppler current profiler (ADCP) in the stream water and hyporheic fluxes derived from a set of temperature profilers installed across the riverbed. The validated model is then employed to systematically investigate how hyporheic exchanges are influenced by surface water fluid dynamics strongly regulated by upstream dam operations, as well as subsurface structures (e.g. thickness of riverbed and subsurface formation layers) and hydrogeological properties (e.g. permeability). The results suggest that the thickness of riverbed alluvium layer is the dominant factor for reach-scale hyporheic exchanges, followed by the alluvium permeability, the depth of the underlying impermeable layer, and the assumption of hydrostatic pressure.

Bao, Jie↗
DOE OSTI2017

Capturing the two-way hydromechanical coupling effect on fluid-driven fracture in a dual-graph lattice beam model

Fluid-driven fractures of brittle rock is simulated via a dual-graph lattice model. The new discrete hydromechanical model incorporates a two-way coupling mechanism between the discrete element model and the flow network. Through adopting an operator-split algorithm, the coupling model is able to replicate the transient poroelasticity coupling mechanism and the resultant Mandel-Cryer hydromechanical coupling effect in a discrete mechanics framework. As crack propagation, coalescence and branching are all path-dependent and irreversible processes, capturing this transient coupling effect is important for capturing the essence of the fluid-driven fracture in simulations. Injection simulations suggest that the onset and propagation of fractures is highly sensitive to the ratio between the injection rate and the effective permeability. Moreover, we show that in a permeable rock, the borehole breakdown pressure, the pressure at which fractures start to grow from the borehole, depends on both the given ratio between injection rate and permeability and the Biot coefficient.

58 GEOSCIENCES↗
DOE OSTI2018

Ice-VII inclusions in diamonds: Evidence for aqueous fluid in Earth’s deep mantle

Water-rich regions in Earth’s deeper mantle are suspected to play a key role in the global water budget and the mobility of heat-generating elements. Here, we show that ice-VII occurs as inclusions in natural diamond and serves as an indicator for such water-rich regions. Ice-VII, the residue of aqueous fluid present during growth of diamond, crystallizes upon ascent of the host diamonds but remains at pressures as high as 24 gigapascals; it is now recognized as a mineral by the International Mineralogical Association. In particular, ice-VII in diamonds points toward fluid-rich locations in the upper transition zone and around the 660-kilometer boundary.

58 GEOSCIENCES↗
NASA NTRS2013

Generating Inviscid and Viscous Fluid-Flow Simulations over an Aircraft Surface Using a Fluid-Flow Mesh

Fluid-flow simulation over a computer-generated aircraft surface is generated using inviscid and viscous simulations. A fluid-flow mesh of fluid cells is obtained. At least one inviscid fluid property for the fluid cells is determined using an inviscid fluid simulation that does not simulate fluid viscous effects. A set of intersecting fluid cells that intersects the aircraft surface are identified. One surface mesh polygon of the surface mesh is identified for each intersecting fluid cell. A boundary-layer prediction point for each identified surface mesh polygon is determined. At least one boundary-layer fluid property for each boundary-layer prediction point is determined using the at least one inviscid fluid property of the corresponding intersecting fluid cell and a boundary-layer simulation that simulates fluid viscous effects. At least one updated fluid property for at least one fluid cell is determined using the at least one boundary-layer fluid property and the inviscid fluid simulation.

Rodriguez, David L.↗
DOE OSTI2022

Fluid mixing apparatus using liquid fuel and high- and low-pressure fluid streams

A fluid mixing apparatus includes mixing conduits that extend through a fluid plenum. The fluid plenum, which surrounds a first wall defining a main passage fluidly coupled to a low-pressure fluid source, is surrounded itself by a second wall defining a high-pressure plenum fluidly coupled to a high-pressure fluid source. An insulated tube disposed at the inlet of the first wall delivers a third fluid. The mixing conduits fluidly couple the high-pressure plenum to the main passage, where the high-pressure fluid is mixed with low-pressure fluid and the third fluid. Optionally, the fluid plenum may house a fourth fluid that is injected through injection holes in the mixing conduits. The fluid mixing apparatus may be used to mix one or more fuels with high- and low-pressure air in a gas turbine combustor. Alternately, the fluid mixing apparatus may mix a fluid with high- and low-pressure water streams.

Berry, Joseph Jonathan↗
DOE OSTI2017

A Numerical Study of Factors Affecting Fracture-Fluid Cleanup and Produced Gas/Water in Marcellus Shale: Part II

Horizontal wells combined with successful multi-stage hydraulic fracture treatments are currently the most established method for effectively stimulating and enabling economic development of gas bearing organic-rich shale formations. Fracture cleanup in the Stimulated Reservoir Volume (SRV) is critical to stimulation effectiveness and long-term well performance. However, fluid cleanup is often hampered by formation damage, and post-fracture well performance frequently falls below expectations. A systematic study of the factors that hinder fracture fluid cleanup in shale formations can help optimize fracture treatments and better quantify long term volumes of produced water and gas. Fracture fluid cleanup is a complex process influenced by multi-phase flow through porous media (relative permeability hysteresis, capillary pressure etc.), reservoir rock and fluid properties, fracture fluid properties, proppant placement, fracture treatment parameters, and subsequent flowback and field operations. Changing SRV and fracture conductivity as production progresses further adds to the complexity of this problem. Numerical simulation is the best, and most practical approach to investigate such a complicated blend of mechanisms, parameters, their interactions, and subsequent impact on fracture fluid cleanup and well deliverability. In this paper, a 3-dimensional, 2-phase, dual-porosity model was used to investigate the impact of multiphase flow, proppant crushing, proppant diagenesis, shut-in time, reservoir rock compaction, gas slippage, and gas desorption on fracture fluid cleanup, and well performance in Marcellus shale. The research findings have shed light on the factors that substantially constrains efficient fracture fluid cleanup in gas shales, and provided guidelines for improved fracture treatment designs and water management.

58 GEOSCIENCES↗
DOE OSTI2023

Fluid mixing apparatus using high- and low-pressure fluid streams

A fluid mixing apparatus includes mixing conduits that extend through a fluid plenum and that define injection holes therethrough. The fluid plenum, which surrounds a first wall defining a main passage fluidly coupled to a low-pressure fluid source, is surrounded itself by a second wall defining a high-pressure plenum fluidly coupled to a high-pressure fluid source. The mixing conduits fluidly couple the high-pressure plenum to the main passage, and the fluid from the fluid plenum is delivered with the high-pressure fluid to the main passage, where the fluids mix before being discharged from an outlet of the main passage. The fluid mixing apparatus may be used to mix one or more fuels with high- and low-pressure air in a gas turbine combustor. Alternately, the fluid mixing apparatus may mix a fluid with high- and low-pressure water streams.

Berry, Jonathan Dwight↗
DOE OSTI2017

On the role of fluids in stick-slip dynamics of saturated granular fault gouge using a coupled computational fluid dynamics-discrete element approach: STICK-SLIP IN SATURATED FAULT GOUGE

The presence of fault gouge has considerable influence on slip properties of tectonic faults and the physics of earthquake rupture. The presence of fluids within faults also plays a significant role in faulting and earthquake processes. In this study, we present 3-D discrete element simulations of dry and fluid-saturated granular fault gouge and analyze the effect of fluids on stick-slip behavior. Fluid flow is modeled using computational fluid dynamics based on the Navier-Stokes equations for an incompressible fluid and modified to take into account the presence of particles. Analysis of a long time train of slip events shows that the (1) drop in shear stress, (2) compaction of granular layer, and (3) the kinetic energy release during slip all increase in magnitude in the presence of an incompressible fluid, compared to dry conditions. We also observe that on average, the recurrence interval between slip events is longer for fluid-saturated granular fault gouge compared to the dry case. This observation is consistent with the occurrence of larger events in the presence of fluid. It is found that the increase in kinetic energy during slip events for saturated conditions can be attributed to the increased fluid flow during slip. Finally, our observations emphasize the important role that fluid flow and fluid-particle interactions play in tectonic fault zones and show in particular how discrete element method (DEM) models can help understand the hydromechanical processes that dictate fault slip.

58 GEOSCIENCES↗
DOE OSTI2020

Foot-scale Evaluation of CO2-Responsive Polymer and CO2 Binary Fluid as an Alternative Fracturing Fluid for Enhanced Geothermal Systems

A foot-scale high-temperature true-triaxial fracturing apparatus was used to conduct hydraulic fracture tests on rock samples. The fracturing tests used different fluids including water, CO2, CO2 with water, and CO2 with a 1% polyallylamine (PAA)/water solution. The tests were conducted with both constant pressure injection and constant flow rate injection modes. CO2-based fracturing fluids were found to produce higher breakdown pressures, high transient flow rates, and produce higher-conductivity fractures as compared to water-based fracturing fluids. Additionally, faster pressurization rates with CO2-based fracturing fluids (obtained when fracturing at constant flow rate mode) are found to be associated with higher fracture conductivities. When fracturing with CO2-based fluids in the presence of a PAA aqueous solution, for example if the rock is saturated with 1wt% PAA in water, the volume expansion caused by CO2-induced crosslinking of PAA leads to a faster pressure increase due to the associated volume expansion and increase in viscosity. It was also found that CO2 as a fracturing fluid injected in hot dry rock (HDR) attain the highest fracture conductivity only when injected at very high flow rates, followed very closely by the CO2/PAA fracturing fluid system that generates fractures with, on average, similarly high conductivity values though independently of injection flow rate and using 1/6 of the mass of CO2 as compared to CO2 in HDR. Breakdown pressures were also similar for CO2 stimulation in HDR and CO2/PAA fluid system under identical injection flow rates. Finally, the well-known low viscosity of CO2 phase prevents the efficient transport of proppants while the reacted CO2/PAA fluid system is known to form a high viscosity binary fracturing fluid system with the potential to carry proppant in addition of being a fine fracturing fluid.

Enhanced Geothermal Systems, polyallylamine, Co2-r↗
NASA NTRS2000

Validation of an All-Pressure Fluid Drop Model: Heptane Fluid Drops in Nitrogen

Despite the fact that supercritical fluids occur both in nature and in industrial situations, the fundamentals of their behavior is poorly understood because supercritical fluids combine the characteristics of both liquids and gases, and therefore their behavior is not intuitive. There are several specific reasons for the lack of understanding: First, data from (mostly optical) measurements can be very misleading because regions of high density thus observed are frequently identified with liquids. A common misconception is that if in an experiment one can optically identify "drops" and "ligaments", the observed fluid must be in a liquid state. This inference is incorrect because in fact optical measurements detect any large change (i.e. gradients) in density. Thus, the density ratio may be well below Omicron(10(exp 3)) that characterizes its liquid/gas value, but the measurement will still identify a change in the index of refraction providing that the change is sudden (steep gradients). As shown by simulations of supercritical fluids, under certain conditions the density gradients may remain large during the supercritical binary fluids mixing, thus making them optically identifiable. Therefore, there is no inconsistency between the optical observation of high density regions and the fluids being in a supercritical state. A second misconception is that because a fluid has a liquid-like density, it is appropriate to model it as a liquid. However, such fluids may have liquid-like densities while their transport properties differ from those of a liquid. Considering that the critical pressure of most fuel hydrocarbons used in Diesel and gas turbine engines is in the range of 1.5 - 3 MPa, and the fact that the maximum pressure attained in these engines is about 6 Mps, it is clear that the fuel in the combustion chamber will experience both subcritical and supercritical conditions. Studies of drop behavior over a wide range of pressures were performed in the past, however none of these studies identified the crucial differences between the subcritical and supercritical behavior. In fact, in two of these studies, it was found that the subcritical and supercritical behavior is similar as the drop diameter decreased according to the classical d(exp 2)-law over a wide range of pressures and drop diameters. The present study is devoted to the exploration of differences in fluid-behavior characteristics under subcritical and supercritical conditions in the particular case of heptane fluid drops in nitrogen; these substances were selected because of the availability of experimental observations for model validation.

Harstad, K.↗
DOE OSTI2022

Fluid – Fluid Interfacial Area and Its Impact on Relative Permeability - A Pore Network Modeling Study

Abstract Relative permeability (kr) is commonly modeled as an empirical function of phase saturation. Although current empirical models can provide a good match of one or two measured relative permeabilities using saturation alone, they are unable to predict relative permeabilities well when there is hysteresis or when physical properties such as wettability change. Further, current models often result in relative permeability discontinuities that can cause convergence and accuracy problems in simulation. To overcome these problems, recent research has modeled relative permeability as a state function of both saturation (S) and phase connectivity (X). Pore network modeling (PNM) data, however, shows small differences in relative permeability for the same S-X value when approached from a different flow direction. This paper examines the impact of one additional Minkowski parameter (Mecke and Arns, 2005), the fluid-fluid interfacial area, on relative permeability to identify if that satisfactorily explains this discrepancy. We calculate the total fluid-fluid interfacial areas (IA) during two-phase (oil/water) flow in porous media using pore network modeling. The area is calculated from PNM simulations using the areas associated with corners and throats in pore elements of different shapes. The pore network is modeled after a Bentheimer sandstone, using square, triangular, and circular pore shapes. Simulations were conducted for numerous primary drainage and imbibition cycles at a constant contact angle of 0° for the wetting phase. Simultaneous measurements of capillary pressure, relative permeability, saturation, and phase connectivity are made for each displacement. Fluid-fluid interfacial area is calculated from the PNM capillary pressure, the fluid location in the pore elements, and the pore element dimensional data. The results show that differences in the relative permeability at the same (S,X) point is explained well by differences in the fluid-fluid interfacial area (IA). That is, for a larger change in IA at these intersection points, the permeability difference is greater. That difference in relative permeability approaches zero as the difference in IA approaches zero. This confirms that relative permeability can be modeled better as a unique function of S, X, and IA. The results also show that an increase in IA restricts flow decreasing the nonwetting (oil) phase permeability. This decrease is caused by an increase in the throat area fraction compared to the corner area as the total area IA increases. The wetting phase relative permeability, however, shows the inverse trend, in that its relative permeability is greater when IA becomes larger owing to a greater fraction of the total area associated with the corners. The area IA, however, impacts the nonwetting phase relative permeability more than the wetting phase relative permeability. Corner flow improves the wetting phase relative permeability because the wetting phase is continuous there. Finally, a sensitivity analysis shows that relative permeability a is more sensitive to change in S than they are for IA for the case studied implying that if only two parameters are used to model relative permeability it is better to choose S and X.

Engineering↗
DOE OSTI2018

How Precisely Can the Temperature of a Fluid Event be Constrained Using Fluid Inclusions?

Fluid inclusions in clearly defined fluid inclusion assemblages (FIAs) from various geologic environments were examined to assess the uncertainty associated with determining the temperature of a fluid event based on fluid inclusion homogenization temperatures (Th). A fluid event is defined as a physical or chemical process such as the healing of a microfracture or the formation of a growth zone in a crystal that occurs in the presence of a fluid phase and results in trapping of fluid inclusions to form an FIA. Examination of data from a large number of fluid events collected within a rigorous temporal and spatial (paragenetic) framework forms the basis for developing a complete fluid pressure-temperature-composition (PTX) history.

58 GEOSCIENCES↗
DOE OSTI2019

Interference Provides Clarity: Direct Observation of 2D Materials at Fluid–Fluid Interfaces

Monolayer particles of two-dimensional (2D) materials represent a scientifically and technologically interesting class of anisotropic particles with colloidal-scale lateral sizes but sub-nanometer thicknesses. This atomic-scale thickness leads to interesting phenomena that can be exploited in next-generation thin-film technologies, and fluid-fluid interfaces provide a potentially scalable platform to confine, assemble, and deposit functional thin films of 2D materials. However, directly observing how these materials interact and assemble into a given film morphology is experimentally challenging because of their sub-nanometer thicknesses. Here, we demonstrate the ability to directly observe graphene, molybdenum disulfide (MoS2), and hexagonal boron nitride (h-BN) particles at fluid-fluid interfaces using interference reflection microscopy (IRM). Monolayer MoS2 and graphene particles demonstrated >10% optical contrast at an air-water interface, which allowed us to quantitatively analyze in situ images of self-assembled MoS2 particles and to map trajectories of interacting graphene particles. Additionally, the Brownian motion of a graphene particle was tracked and analyzed in the context of passive microrheology theory for 2D particle probes. Our results demonstrate how IRM can be used to obtain quantitative spatiotemporal information regarding the self-assembly and dynamics of 2D materials at fluid-fluid interfaces. It will have a significant impact on our ability to investigate systems of atomically thin particles at fluid-fluid interfaces, an area that has fundamental scientific importance and materials science applications but has suffered from a lack of direct, in situ observation techniques.

2D material↗