Results for “fluid structure interaction” — Page 58

DOE OSTI2014

Modeling CO 2 Sequestration in Saline Aquifer and Depleted Oil Reservoir To Evaluate Regional CO 2 Sequestration Potential of Ozark Plateau Aquifer System, South-Central Kansas

1. Drilled, cored, and logged three wells to the basement and collecting more than 2,700 ft of conventional core; obtained 20 m i2 of multicomponent 3D seismic imaging and merged and reprocessed more than 125 mi 2 of existing 3D seismic data for use in modeling CO 2 - EOR oil recovery and CO 2 storage in five oil fields in southern Kansas. 2. Determined the technical feasibility of injecting and sequestering CO 2 in a set of four depleted oil reservoirs in the Cutter, Pleasant Prairie South, Eubank, and Shuck fields in southwest Kansas; of concurrently recovering oil from those fields; and of quantifying the volumes of CO2 sequestered and oil recovered during the process. 3. Formed a consortium of six oil operating companies, five of which own and operate the four fields. The consortium became part of the Southwest Kansas CO 2 -EOR Initiative for the purpose of sharing data, knowledge, and interest in understanding the potential for CO 2 -EOR in Kansas. 4. Built a regional well database covering 30,000 mi 2 and containing stratigraphic tops from ~90,000 wells; correlated 30 major stratigraphic horizons; digitized key wells, including wireline logs and sample logs; and analyzed more than 3,000 drill stem tests to establish that fluid levels in deep aquifers below the Permian evaporites are not connected to the surface and therefore pressures are not hydrostatic. Connectivity with the surface aquifers is lacking because shale aquitards and impermeable evaporite layers consist of both halite and anhydrite. 5. Developed extensive web applications and an interactive mapping system that do the following: a. Facilitate access to a wide array of data obtained in the study, including core descriptions and analyses, sample logs, digital (LAS) well logs, seismic data, gravity and magnetics maps, structural and stratigraphic maps, inferred fault traces, earthquakes, Class I and II disposal wells, and surface lineaments. b. Provide real-time analysis of the project dataset, including automated integration and viewing of well logs, core, core analyses, brine chemistry, and stratigraphy using the Java Profile app. A cross-section app allows for the display of log data for up to four wells at a time. 6. Integrated interpretations from the project’s interactive web-based mapping system to gain insights to aid in assessing the efficacy of geologic CO 2 storage in Kansas and insights toward understanding recent seismicity to aid in evaluating induced vs. naturally occurring earthquakes. 7. Developed a digital type-log system, including web-based software to modify and refine stratigraphic nomenclature to provide stakeholders a common means for communication about the subsurface. 8. Contracted use of a nuclear magnetic resonance (NMR) log and ran it slowly to capture response and characterize larger pores common for carbonate reservoirs. Used NMR to extend core analyses to apply permeability, relative permeability to CO 2 , and capillary pressure to the major rock types, each uniquely expressed as a reservoir quality index (RQI), present in the Mississippian and Arbuckle rocks. 9. Characterized and evaluated the possible role of microbes in dense brines. Used microbes to compliment H/O stable isotopes to fingerprint brine systems. Used perforation/swabbing to obtain samples from multiple hydrostratigraphic units and confirmed equivalent results using less expensive drill stem tests (DST). 10. Used an integrated approach from whole core, logs, tests, and seismic to verify and quantify properties of vuggy, brecciated, and fractured carbonate intervals. 11. Used complex geocellular static and dynamic models to evaluate regional storage capacity using large parallel processing. 12. Carbonates are complex reservoirs and CO 2 -EOR needs to move to the next generation to increase effectiveness of CO 2 and efficiency and safety of the injection.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Modeling CO 2 Sequestration in Saline Aquifer and Depleted Oil Reservoir To Evaluate Regional CO 2 Sequestration Potential of Ozark Plateau Aquifer System, South-Central Kansas

1. Drilled, cored, and logged three wells to the basement and collecting more than 2,700 ft of conventional core; obtained 20 m i2 of multicomponent 3D seismic imaging and merged and reprocessed more than 125 mi 2 of existing 3D seismic data for use in modeling CO 2 - EOR oil recovery and CO 2 storage in five oil fields in southern Kansas. 2. Determined the technical feasibility of injecting and sequestering CO 2 in a set of four depleted oil reservoirs in the Cutter, Pleasant Prairie South, Eubank, and Shuck fields in southwest Kansas; of concurrently recovering oil from those fields; and of quantifying the volumes of CO2 sequestered and oil recovered during the process. 3. Formed a consortium of six oil operating companies, five of which own and operate the four fields. The consortium became part of the Southwest Kansas CO 2 -EOR Initiative for the purpose of sharing data, knowledge, and interest in understanding the potential for CO 2 -EOR in Kansas. 4. Built a regional well database covering 30,000 mi 2 and containing stratigraphic tops from ~90,000 wells; correlated 30 major stratigraphic horizons; digitized key wells, including wireline logs and sample logs; and analyzed more than 3,000 drill stem tests to establish that fluid levels in deep aquifers below the Permian evaporites are not connected to the surface and therefore pressures are not hydrostatic. Connectivity with the surface aquifers is lacking because shale aquitards and impermeable evaporite layers consist of both halite and anhydrite. 5. Developed extensive web applications and an interactive mapping system that do the following: a. Facilitate access to a wide array of data obtained in the study, including core descriptions and analyses, sample logs, digital (LAS) well logs, seismic data, gravity and magnetics maps, structural and stratigraphic maps, inferred fault traces, earthquakes, Class I and II disposal wells, and surface lineaments. b. Provide real-time analysis of the project dataset, including automated integration and viewing of well logs, core, core analyses, brine chemistry, and stratigraphy using the Java Profile app. A cross-section app allows for the display of log data for up to four wells at a time. 6. Integrated interpretations from the project’s interactive web-based mapping system to gain insights to aid in assessing the efficacy of geologic CO 2 storage in Kansas and insights toward understanding recent seismicity to aid in evaluating induced vs. naturally occurring earthquakes. 7. Developed a digital type-log system, including web-based software to modify and refine stratigraphic nomenclature to provide stakeholders a common means for communication about the subsurface. 8. Contracted use of a nuclear magnetic resonance (NMR) log and ran it slowly to capture response and characterize larger pores common for carbonate reservoirs. Used NMR to extend core analyses to apply permeability, relative permeability to CO 2 , and capillary pressure to the major rock types, each uniquely expressed as a reservoir quality index (RQI), present in the Mississippian and Arbuckle rocks. 9. Characterized and evaluated the possible role of microbes in dense brines. Used microbes to compliment H/O stable isotopes to fingerprint brine systems. Used perforation/swabbing to obtain samples from multiple hydrostratigraphic units and confirmed equivalent results using less expensive drill stem tests (DST). 10. Used an integrated approach from whole core, logs, tests, and seismic to verify and quantify properties of vuggy, brecciated, and fractured carbonate intervals. 11. Used complex geocellular static and dynamic models to evaluate regional storage capacity using large parallel processing. 12. Carbonates are complex reservoirs and CO 2 -EOR needs to move to the next generation to increase effectiveness of CO 2 and efficiency and safety of the injection.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1987

Some advances in digital flow visualization

The ability to visualize complex objects, concepts, interactions, and phenomena, to 'SEE' them in the mind's eye, has always been a fundamental component of the engineering discipline. Today, driven by increasingly demanding design requirements and an avalanche of data from powerful new computers and sophisticated experimental devices, the need to visualize data effectively is more important than ever before. This pressing need has resulted in the rapid increase in the use of computer-generated graphics in engineering. This is particularly true in the field of fluid dynamics where the internal structure of flow, not just surface or geometric effects, must be interpreted and communicated. This paper reports on several recent developments in the application of digital computer-generated graphics to engineering requirements for visualization of flow.

Belie, R. G.↗

NASA NTRSDate not supplied

Nearfield Anisotropic Mesh Adaptivity for the Third AIAA Sonic Boom Workshop

The Third AIAA Sonic Boom Workshop provides a unique opportunity to verify nearfield Computational Fluid Dynamics (CFD) tools. The workshop gathered nearfield CFD pressures from families of Mach-aligned, manually-tailored meshes on the C608 Low Boom Flight Test Demonstrator and the shock-plume interaction wind tunnel model. Here two classical adaptive strategies, multiscale and goal-oriented, are compared to the results obtained on tailored grids. The multiscale strategy is implemented independently in two separate toolsets. Details of the adapted mesh density are shown that resolve the complex interaction of boundary layers, shocks, expansions, and vortical structures. Mesh convergence of nearfield pressure signatures and their integral is shown. These detailed comparisons between adapted and manually-tailored meshes and independent implementations of mesh adaptation demonstrate the readiness of these methods for controlling the discretization error of nearfield sonic boom predication.

Julien Vanharen↗

DOE OSTI2026

Additional Data Focused on Phase 1 Geared Toward Computational Fluid Dynamics (CFD) validation

A new validation campaign was developed within the Offshore Code Comparison Collaboration, Continued, with Correlation and unCertainty (OC6) to better understand the complex interactions between components of a floating wind system (e.g., columns, pontoons, etc.) in a more generic sense, and to validate modeling approaches for a variety of floating designs. A set of cylinders based on the Offshore Code Comparison Collaboration Continuation (OC4)-DeepCwind semidesign were tested under wave loading, both individually and in different combinations (including the attachment of heave plates of different sizes). The cylinders were held rigid, and pressure sensors were used to measure the distributed loading on the structures, while load cells measured the total integrated hydrodynamic loads.

17 WIND ENERGY↗

DOE OSTI2014

Visco-elastic fluid simulations of coherent structures in strongly coupled dusty plasma medium

A generalized hydrodynamic model depicting the behaviour of visco-elastic fluids has often been invoked to explore the behaviour of a strongly coupled dusty plasma medium below their crystallization limit. The model has been successful in describing the collective normal modes of the strongly coupled dusty plasma medium observed experimentally. The paper focuses on the study of nonlinear dynamical characteristic features of this model. Specifically, the evolution of coherent vorticity patches is being investigated here within the framework of this model. A comparison with Newtonian fluids and molecular dynamics simulations treating the dust species interacting through the Yukawa potential has also been presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Modeling of Water Film Formation on a Stay-Cable

With the increasing popularity of cable-stayed bridges in the past few decades, longer spans are being constructed using ever-longer stay cables. Under certain conditions, especially during construction, and wind and rain-wind events, the cables of cable-stayed bridges may undergo large amplitude vibrations. This type of vibration has been of concern to researchers and engineers because large amplitude vibration can induce excessive stresses and therefore threaten the safety and integrity of bridge structures. Figure 1-1 presents an example of a stay cable bridge structure, The Cooper River Bridge. Many countermeasures for the wind-rain induced vibrations have been developed to decrease the amplitude of the vibrations and consequently, the fatigue of the cables. One of the methods is to install helical fillets on the cable surface. A sketch of a cable with two fillets wrapped around it is shown in Figure 1-2. The main objective of the present study is to develop and test computational methodologies, with the use of computational fluid dynamics (CFD), that model the interaction of rain with stay cables including: the formation of water film, development of rainwater rivulets, and rivulet behavior under various conditions with and without wind. Interaction of water with cables with and without fillets is analyzed, and results are presented in this report. This study is divided into two parts. The first part of this study, Section 4, explores methods of modeling water film formation and flow on cables. A series of simulations using the Reynolds averaged Navier-Stokes equations turbulence model (RANS) and large eddy simulation (LES) model are performed to analyze water film formation and flow on a cable using the fluid film model in STARCCM+ [(b)1]. Various methods of setting up initial and boundary conditions are tested, especially boundary conditions for introducing rain into the domain. The second part of the study, Section 5, explores upper rivulet formation in the presence of wind, based on the findings from the first part of the study. In that section, LES simulation with the Volume Of Fluid model for the free surface is used. Also, various results for cases with and without water film on the cable are presented and compared.

42 ENGINEERING↗

DOE OSTI2023

Molecular Aspects of Transport in Thin Films of Controlled Architecture (Final Technical Report)

The scientific and technological objectives of this project are motivated by problems in energy technologies that utilize differential transport in nanoscale confined volumes to achieve molecular separations. The core scientific phenomena that control observable behavior - wetting/dewetting, hydrophobicity, stochastic fluctuations in fluid flow, electrokinetics, etc. - are fundamentally different on the nanoscale, because the underlying forces that direct molecular motion are altered upon scaling to nanometer dimensions. We proposed to address this overarching problem by pursuing two objectives. Objective 1 targeted the development of single molecule-based electrokinetic, electrochemical and spectroelectrochemical probes of transport in one-dimensional (1D) nanostructures. Objective 2 focused on the interaction between wetting phenomena and nanoconfined flows under active (electrical and/or electrochemical) control. The studies were intended to develop the design rules, structural motifs, and operating principles needed to achieve singular control over molecular transport in nano-confined volumes, thereby impacting a broad spectrum of energy-relevant separations processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1986

The near and far acoustic fields of broadband shock associated noise

A stochastic model theory is presented which suggests that the broadband shock associated noise of supersonic jets is generated by the weak interaction between downstream propagating large turbulence structures and the quasiperiodic shock cells in the jet plume. The large turbulence structures are modelled by a superposition of the intrinsic instability waves of the mean flow of the jet, and the quasiperiodic shock cells are broken down into time-independent waveguide modes of the jet flow using multiple scales expansion. The observed broadband shock associated noise consists of a superposition of the spectra generated by the different waveguide modes. Starting from the equations of motion of a compressible fluid, formulas for calculating the far field and near field noise are developed. Good general agreement is found with previous results.

Tam, C. K. W.↗

NASA NTRS2001

CFD Simulation of Liquid Rocket Engine Injectors

Detailed design issues associated with liquid rocket engine injectors and combustion chamber operation require CFD methodology which simulates highly three-dimensional, turbulent, vaporizing, and combusting flows. The primary utility of such simulations involves predicting multi-dimensional effects caused by specific injector configurations. SECA, Inc. and Engineering Sciences, Inc. have been developing appropriate computational methodology for NASA/MSFC for the past decade. CFD tools and computers have improved dramatically during this time period; however, the physical submodels used in these analyses must still remain relatively simple in order to produce useful results. Simulations of clustered coaxial and impinger injector elements for hydrogen and hydrocarbon fuels, which account for real fluid properties, is the immediate goal of this research. The spray combustion codes are based on the FDNS CFD code' and are structured to represent homogeneous and heterogeneous spray combustion. The homogeneous spray model treats the flow as a continuum of multi-phase, multicomponent fluids which move without thermal or velocity lags between the phases. Two heterogeneous models were developed: (1) a volume-of-fluid (VOF) model which represents the liquid core of coaxial or impinger jets and their atomization and vaporization, and (2) a Blob model which represents the injected streams as a cloud of droplets the size of the injector orifice which subsequently exhibit particle interaction, vaporization, and combustion. All of these spray models are computationally intensive, but this is unavoidable to accurately account for the complex physics and combustion which is to be predicted, Work is currently in progress to parallelize these codes to improve their computational efficiency. These spray combustion codes were used to simulate the three test cases which are the subject of the 2nd International Workshop on-Rocket Combustion Modeling. Such test cases are considered by these investigators to be very valuable for code validation because combustion kinetics, turbulence models and atomization models based on low pressure experiments of hydrogen air combustion do not adequately verify analytical or CFD submodels which are necessary to simulate rocket engine combustion. We wish to emphasize that the simulations which we prepared for this meeting are meant to test the accuracy of the approximations used in our general purpose spray combustion models, rather than represent a definitive analysis of each of the experiments which were conducted. Our goal is to accurately predict local temperatures and mixture ratios in rocket engines; hence predicting individual experiments is used only for code validation. To replace the conventional JANNAF standard axisymmetric finite-rate (TDK) computer code 2 for performance prediction with CFD cases, such codes must posses two features. Firstly, they must be as easy to use and of comparable run times for conventional performance predictions. Secondly, they must provide more detailed predictions of the flowfields near the injector face. Specifically, they must accurately predict the convective mixing of injected liquid propellants in terms of the injector element configurations.

Farmer, Richard↗

NASA NTRS2002

Spin-Up Instability of a Levitated Molten Drop in MHD-Flow Transition to Turbulence

When an alternating magnetic field interacts with induced eddy currents in a conducting body, there will be a repulsive force between the body and the driving coil system generating the field. This repulsive force is the basis of electromagnetic levitation, which allows containerless processing of different materials. The eddy currents in the conducting body also generate Joule heating. Axial rotation of electromagnetically levitated objects is a common observation in levitation systems and often an undesirable side effect of such experiments on 1-g and -g. There have been recent efforts to use magnetic damping and suppress this tendency of body rotation. The first report of rotation in EML drops was attributed to a slight asymmetry of the shape and location of the levitation coils could change the axis and speed of rotation. Other theories of sample rotation include a frequency difference in the traveling electromagnetic waves and a phase difference in two different applied fields of the same frequency. All of these different mechanisms share the following characteristics: the torque is small, constant for constant field strength, and very weakly dependent on the sample's temperature and phase (solid or liquid). During experiments on the MSL-1 (First Microgravity Science Laboratory) mission of the Space Shuttle (STS-83 and STS-94, April and July 1997), a droplet of palladium-silicon alloy was electromagnetically levitated for viscosity measurements. For the non-deforming droplet, the resultant MHD flow inside the drop is inferred from motion of impurities on the surface. These observations indicate formation of a pair of co-rotating toroidal flow structures inside the spheroidal levitated drop that undergo secondary flow instabilities. As rise in the fluid temperature rises, the viscosity falls and the internal flow accelerates and becomes oscillatory; and beyond a point in the experiments, the surface impurities exhibit non-coherent chaotic motion signifying emergence of turbulence inside the drop. In this work, a background of these set of observations will be given followed by a presentation of our results on the digital particle tracking analysis that has been performed on a number of available videos. The analysis indicates that the levitated drop attains a constant rotational speed during the melting phase and formation of the co-rotating axi-symmetric laminar toroidal structures. However, the rate of axial rotation increases dramatically during the deformation of the toroidal structures anti their breakup into chaotic entities. This new data suggests an interaction between the flow inside the levitated molten drop and the driving coils in the experiments. Possible mechanisms for this interaction will be reviewed. The data will also be used to make an assessment of existing theories on droplet rotation.

Abedian, B.↗

DOE OSTI2017

Innovative computational tools for reducing exploration risk through integration of water-rock interactions and magnetotelluric surveys

Mapping permeability distributions in geothermal reservoirs is essential for reducing the cost of geothermal development. To avoid the cost and sampling bias of measuring permeability directly through drilling, we require remote methods of imaging permeability such as geophysics. Electrical resistivity (or its inverse, conductivity) is one of the most sensitive geophysical properties known to reflect long range fluid interconnection and thus the likelihood of permeability. Perhaps the most widely applied geophysical methods for imaging subsurface resistivity is magnetotellurics (MT) due to its relatively great penetration depths. A primary goal of this project is to confirm through ground truthing at existing geothermal systems that MT resistivity structure interpreted integratively is capable of revealing permeable fluid pathways into geothermal systems.

15 GEOTHERMAL ENERGY↗

DOE OSTI2017

The evolution of the Cappadocia Geothermal Province, Anatolia (Turkey): geochemical and geochronological evidence

Cappadocia Geothermal Province (CGP), central Turkey, consists of nine individual geothermal regions controlled by active regional fault systems. This paper examines the age dating of alteration minerals and the geochemistry (trace elements and isotopes) of the alteration minerals and geothermal waters, to assess the evolution of CGP in relation to regional tectonics. Ar–Ar age data of jarosite and alunite show that the host rocks were exposed to oxidizing conditions near the Earth’s surface at about 5.30 Ma. Based on the δ{sup 18}O–δD relationhip, water samples had a high altitude meteoric origin. The δ{sup 34}S values of jarosite and alunite indicate that water samples from the southern part of the study area reached the surface after circulation through volcanic rocks, while northern samples had traveled to the surface after interacting with evaporates at greater depths. REY (rare earth elements and yttrium) diagrams of alteration minerals (especially illite, jarosite and alunite) from rock samples, taken from the same locations as the water samples, display a similar REY pattern to water samples. This suggests that thermal fluids, which reached the surface along a fault zone and caused the mineral alteration in the past, had similar chemical composition to the current geothermal water. The geothermal conceptual model, which defines a volcanically heated reservoir and cap rocks, suggests there are no structural drawbacks to the use of the CGP geothermal system as a resource. However, fluid is insufficient to drive the geothermal system as a result of scanty supply of meteoric water due to evaporation significantly exceeding rainfall.

58 GEOSCIENCES↗

DOE OSTI2016

General Line Ampacity State Solver

INL’s General Line Ampacity State Solver (GLASS) is a high performance software platform that enables advanced grid system operations and planning efforts to be computed in real time. It enables the combination of advanced sensors and sensor networks, communication and data transfer channels, secure and reliable data management, and real-time processing through a flexible system architecture, with the ability to support and integrate with any utility enterprise system. GLASS is designed to help resolve the problems associated with thermally limited transmission and distribution networks, namely bare overhead power transmission lines. GLASS enables the methodology of Concurrent Cooling (Dynamic Line Rating) by reducing the need of using a cost-prohibited number of weather stations (reduce the number of weather stations per mile of overhead power line) to achieve the resolution necessary for individual electric transmission line span capacity calculations. GLASS achieves this by coupling real-time grid operations data and infrastructure architecture information with real-time field deployed weather station measurements and pre-computed Computational Fluid Dynamics (CFD)-based wind modeling interpolation parameters (look-up tables). GLASS uses mathematical models based on the IEEE 738 standard and builds off of the provided iterative solution using modern software paradigms and programming styles to provide a more robust and modular software system. GLASS also interfaces in real-time with utility companies using known transmission line spans and structures. GLASS provides real-time ampacity calculations based on recent weather station data as well as transmission line specifications. GLASS also allows the user to interact graphically with internal databases, which include information such as transmission line conductor types and thermal rating limits, weather station names and locations, specific transmission line span and structure locations, as well as recent ampacity calculations.

Gentle, Jake↗

NASA NTRS2007

Hairpin Vortices and the Final Stages of Transition

A spatially developing direct numerical simulation has been performed for flow over a flat plate that is subjected to a one-time fluid injection through an elongated slit in the wall. The flow parameters have been chosen to closely approximate the experimental conditions of Haidari, Taylow, and Smith (AIAA-89-0964). A hairpin vortex quickly develops near the upstream end of the slit, and a pair of necklace vortices form around the slow-moving injection fluid. As seen in the experiments and reported in Haidari and Smith (in review, JFM), the hairpin vortex spawns both in-line and sidelobe secondary vortices. However, no subdsidiary vortices (those formed by the inviscid deformation of a vortex-line bundle) are observed. At later times, a set of three different types of vortices are identified: hairpin vortex structures with heads that rise away from the wall horseshoe-shaped vortices that do not rise out of the boundary layer, and quasi-streamwise vortices. These structures interact with each other and with the wall layer to generate new vortices that are similar in structure to those mentioned above, although a particular parent vortex may have an offspring that more nearly resembles another member of the set. Perturbation velocity and vertical vorticity contours reveal an arrowhead shape of the highly disturbed region that is reminiscent of a turbulent spot. Spatially averaged velocity profiles in the highly disturbed area are nonlaminar, but as yet do not show typical low-of-the-wall behavior.

Singer, Bart A.↗

DOE OSTI2017

Foamed Cement Interactions with CO 2

Geologic carbon storage (GCS) is a potentially viable strategy to reduce greenhouse emissions. Understanding the risks to engineered and geologic structures associated with GCS is an important first step towards developing practices for safe and effective storage. The widespread utilization of foamed cement in wells may mean that carbon dioxide (CO 2 )/brine/foamed cement reactions may occur within these GCS sites. Characterizing the difference in alteration rates as well as the physical and mechanical impact of CO 2 /brine/foamed cement is an important preliminary step to ensuring offshore and onshore GCS is a prudent anthropogenic CO 2 mitigation choice. In a typical oil and gas well, cement is placed in the annulus between the steel casing and formation rock for both zonal isolation and casing support. The cement must have sufficient strength to secure the casing in the hole and withstand the stress of drilling, perforating, and fracturing (e.g. API, 1997, 2010 Worldwide Cementing Practices). As such, measuring the mechanical and properties of cement is an important step in predicting cement behavior under applied downhole stresses (Nelson, 2006). Zonal isolation is the prevention of fluids migrating to different zones outside of the casing and is strongly impacted by the permeability of the wellbore cement (Nelson, 2006). Zonal isolation depends on both the mechanical behavior and permeability (a physical property) of the cement (Mueller and Eid, 2006; Nelson, 2006). Long-term integrity of cement depends on the mechanical properties of the cement sheath, such as Young’s Modulus (Griffith et al., 2004). The cement sheath’s ability to withstand the stresses from changes in pressure and temperature is predominantly determined by the mechanical properties, including Young’s modulus, Poisson’s ratio, and tensile strength. Any geochemical alteration may impact both the mechanical and physical properties of the cement, thus ultimately impacting the structural integrity of the wellbore. In this study, atmospheric foamed cements were generated using a neat cement and three foam qualities (volume of entrained gas in the cement) - 10%, 20%, and 30 % gas volume. The samples were immersed in a 0.25 M NaCl brine followed by the injection of supercritical CO 2 at 28.9 MPa and 50°C. Petrophysical properties were examined for representative samples using computed tomography (CT) and scanning electron microscopy (SEM). CT scanning of representative samples across the range of reacted cements revealed macroscopic changes in structure due to brine/CO 2 /cement interactions. The high foam quality samples resulted in more CO 2 -saturated brine infiltrating radially deeper into the cement and thus were more susceptible to alteration. After 56 days of exposure, the 30% foam quality sample had the most reaction resulting in an alteration depth of 8.35 ± 0.13 mm with a calculated 34.6 ± 0.2% reacted area and 5.76 ± 0.2% reacted pore space area. The neat sample on the other hand, had a reaction depth of 0.31 ± 0.13 mm with a calculated 0.15 ± 0.08% reacted area and 0.57 ± 0.05% reacted pore area. Physical measurements of the exposed samples were consistent with this degree of alteration having 47.02% porosity and the highest permeability of 0.041 mD. These results indicate that the greater surface area provided by the increase of pore space in the higher quality foam coupled with carbonate diffusion reactions enabled greater alteration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Shear thinning rheology in a concentrated suspension of fibers: the role of attractive interactions

Fiber-reinforced composites are ubiquitously encountered in the engineering, automobile, and aerospace industries. Fabrication of these composites requires the mixing of fibers dispersed in a liquid, and the final structure is affected by fiber properties, interactions, and flow fields. A good understanding of the rheology of fiber suspensions can aid in the design and optimization of the fabrication processes. To this end, we simulate the simple shear flow of fiber suspensions by accounting for short range lubrication, van der Waals attractive, electrostatic repulsion interactions, as well as friction between fibers. Direct numerical simulations are performed using the Immersed Boundary Method where the fibers are modeled as flexible slender bodies governed by the Euler-Bernoulli beam theory and the fluid flow is resolved using the Navier-Stokes equations. The simulation results for the suspension viscosity and yield stress are consistent with the experimental data from the literature for polyamide fiber suspensions. The shear-thinning behavior becomes stronger as we increase the magnitude of attractive interactions. Furthermore, we perform a parametric study varying fiber flexibility, volume fraction, aspect ratio, inertia and examine suspension viscosity and yield stress.

Khan, Monsurul↗

DOE OSTI2023

Probing the Structure and Dynamics of Fluid Mixtures in Porous Materials Through Ultrafast Vibrational Spectro-Microscopy and Many-Body Molecular Dynamics

This research program focused on the characterization of both molecular structure and dynamics of aqueous solutions in various metal-organic frameworks (MOFs) and organic polymers that have recently been proposed for applications in water treatment technologies. This was accomplished by integrating ultrafast vibrational spectroscopy and microscopy, which are sensitive to local environments, molecular orientation, and dynamical couplings, with many-body molecular dynamics (MB-MD) simulations, which enable realistic modeling of aqueous systems and porous materials under different thermodynamic conditions. Our studies allowed for identifying the physical mechanisms and characterizing the underlying molecular interactions between water and host materials that determine the adsorption and transport processes of water in various MOFs and β-cyclodextrin polymers – prototypical examples of porous materials and polymers, that have recently been proposed for technological applications in water purification. By combining bulk- and surface-sensitive, spatially resolved ultrafast vibrational spectroscopy with MB-MD simulations, it was possible to gain broad insight into the structure and mobility of water under heterogeneous confinement at various length scales. In particular, measurements of surface- and bulk-sensitive vibrational spectra at single crystal level, integrated with MB-MD simulations were used to characterize domain-specific, structure–binding affinity relationships. Besides providing specific information about the behavior of aqueous solutions in prototypical MOFs and organic polymers for potential applications in water treatment technologies, our studies also provided fundamental insights into the properties of aqueous solutions in confined heterogeneous environments, which have broad implications in many areas, ranging from heterogeneous catalysis to oil recovery, ion transport processes, and reaction-diffusion processes in crowded systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗