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MODELING THE INFLUENCE OF NOZZLE-GENERATED TURBULENCE ON DIESEL SPRAYS

Predictive engine simulations are key for rapidly exploring and optimizing the design of cleaner burning and more fuel efficient engines. Injection strategies in advanced engine concepts are resulting in the injection and atomization of fuel under a wide range of operating conditions in order to meet stringent emission regulations. However, the physics governing the breakup of an injected liquid fuel jet into droplets under these conditions have not been well studied or experimentally characterized to date. In the sprays literature, three agents have been proposed as the likely mechanisms contributing to primary atomization in diesel sprays, namely the aerodynamic growth of waves on the fuel jet surface, turbulence generated in the injector nozzle, and cavitation. If computational design tools are to be used to guide the use of direct injection strategies for cleaner and more fuel efficient engines, the physics underpinning the role of these primary atomization mechanisms must be better understood to ensure the development of predictive simulations of fuel-air mixing and vaporization within the engine. Thus, the central aim of this thesis is to improve the physical representation of spray breakup physics within today’s engine simulation packages. The work presented in this thesis investigates the role of the proposed physical mechanisms on the primary atomization process in diesel sprays. In order to advance current understanding of spray breakup, the dynamic and geometric factors contributing to cavitation were suppressed so that primary atomization due to aerodynamics and nozzle-generated turbulence could be studied in isolation. In the absence of sufficiently resolved images to visualize the primary atomization process under dieselrelevant conditions, droplet sizing spray measurements are needed to characterize the outcomes of the spray breakup process. Therefore, a new experimental methodology was developed and applied in a high-pressure spray chamber to characterize the average size of droplets formed from the spray breakup process. This experimental data, in conjunction with x-ray measurements from the Advanced Photon Source at Argonne National Laboratory, have been used to assess predictions from existing spray breakup models. Comparison between predicted and measured drop size distributions revealed that a spray atomization model, premised on droplet formation from the growth of aerodynamically induced instabilities, could capture experimentally observed sensitivities and features in the measured droplet size distributions under conventional diesel engine conditions. However, for injection into relatively lower ambient density environments, aerodynamic breakup models could not accurately predict the initial rate of droplet size decrease in the near-nozzle region, suggesting that other mechanisms, such as turbulence generated inside the nozzle, likely augment and enhance the primary breakup process. Evaluation of newly available droplet sizing measurements under low ambient density conditions allowed for the turbulence-induced breakup process to be studied, while minimizing the influence of aerodynamic inertial forces on the spray. Although several turbulence-induced breakup models have been proposed in the literature, the scaling of droplet sizes with the integral length scale, assumed in the majority of turbulent breakup models, was found to be inconsistent with the experimentally observed trends in droplet size along the spray centerline. However, empirical correlations describing droplets formed from eddies within the inertial sub-range of the turbulence spectrum were better able to capture the measured sensitivities in droplet size to changes in ambient and injection conditions. These findings informed recommendations for an improved hybrid spray breakup model, capable of representing both aerodynamic and turbulent breakup mechanisms in the atomization of non-cavitating diesel sprays.

33 ADVANCED PROPULSION SYSTEMS↗

Light hydrocarbon and noble gas migration as an analogue for potential CO 2 leakage: numerical simulations and field data from three hydrocarbon systems

Abstract Sites where anthropogenic CO 2 captured from industrial sources is stored in deep geological formations for climate change mitigation are required to show secure retention of the injected CO 2 . Monitoring, reporting, and verification (MRV) plans are needed to indicate that no CO 2 release has occurred. We explored the degree to which direct comparison between a surface anomaly and reservoir geochemistry using various geochemical parameters can be used for attribution. We used data collected on light hydrocarbons and noble gases throughout the sedimentary column at three CO 2 enhanced oil recovery (EOR) sites to understand the processes that may cause fluid evolution. Light hydrocarbon and noble gases were sampled from reservoirs, gas‐bearing intervals above reservoirs, and groundwater. Vertical profiles indicated that lighter components are relatively enriched during migration (i.e. chromatographic separation). Static and numerical models were designed to simulate episodic gas migration and geochemical alteration of these geochemical parameters from solubility and sorption. The effects of hydrocarbon solubility were minimal (Bernard ratio changes within 5.2%) although field data were within the range of expected alterations from sorption. Forward models of CO 2 migration and noble gas interactions showed that CO 2 stripping causes an enrichment of crustal noble gases. In areas where natural fluxes of CO 2 from depth are non‐existent, the occurrence of crustal noble gas signature may distinguish fugitive CO 2 from the reservoir from natural near‐surface sources, and could be considered to explain apparent fluid anomalies. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.

Anderson, Jacob↗

Integrated Commercial Carbon Capture and Storage (CCS) Prefeasibility Study at Rock Springs Uplift, Wyoming (Final Report)

To establish the potential of safe, long-term commercial-scale carbon capture & storage (CCS) in southwestern Wyoming, the University of Wyoming formed a CCS coordination team (CCT) to complete a Phase I CarbonSAFE pre-feasibility study adjacent to the region’s largest coal-fired power plant, the Jim Bridger Plant (JBP). The study’s primary objective was to evaluate the potential of storing 50+ million metric tons of anthropogenic carbon dioxide (CO 2 ) in stacked reservoirs over a period of 25 years. In addition, this integrated study evaluated related aspects of carbon capture utilization & storage (CCUS) at the study site, including: (1) the CO 2 character of post-combustion flue gas from JBP and the technical capacity for retrofitting proven commercial-scale CO 2 capture technology relative to CO 2 source character and technological constraints; (2) utilization of the existing CO 2 pipeline network in the immediate vicinity of JBP for enhanced oil recovery (CO 2 -EOR) and utilizing that network as part of a regional hub for CO 2 storage from other anthropogenic sources; (3) assessment of the challenges and benefits of meeting all of CarbonSAFE programmatic Phase I goals relative to Wyoming’s carbon management regulatory framework; and (4) assessment of the community and environmental factors that may impact CCS at JBP. With respect to storage, we analyzed the potential of stacked Mesozoic reservoirs at the study site, focusing on the Entrada and Nugget sandstones. The reservoir response to injection simulations varied greatly between formations, though they both were capable of CO 2 storage. The Entrada Sandstone is relative thin (~40’) and heterogeneous; storage using one injection and production well was limited to 1.2 Mt over 25 years at the study site. The Nugget Sandstone is much thicker (> 400’) and generally homogeneous; storage using one injection and production well approached 15.0 Mt over 25 years; this scenario suggests that the storage potential in the Nugget Sandstone is close to the estimated P90 calculation of 9.6 Mt/mi 2 as models indicate a storage potential of 8.3 Mt/mi 2 at saturation. Both reservoirs’ storage capacity benefited greatly from coupling an injection well with an offset production well; total storage capacity increased and reservoir pressure stayed below critical thresholds. This indicates that implementing a pressure management strategy at the study site would optimize storage and decrease risk. Seals associated with the targeted reservoirs were shown to be capable of retaining the potential storage volumes, and the site benefits from multiple seal redundancies (i.e. > 7,000’ of seal formations). Furthermore, assessment of different reservoir variables (e.g., fluid composition, pressure, etc.) indicates all reservoirs at the study site are isolated. Storage assessments from Mesozoic reservoirs were coupled with simulations from the site’s Paleozoic reservoirs (the Weber Sandstone and Madison Limestone), which were the focus of previous study. The fully integrated stacked reservoir pre-feasibility studies suggest that the Nugget and Madison formations alone could safely store 50 million metric tons of CO 2 within the study site. Furthermore, both formations are true saline reservoirs near JBP, making them ideal target reservoirs for CO 2 sequestration. Analysis of Wyoming’s laws and regulations confirm that the State has a favorable policy environment for CCS/CCUS. The project’s economic models estimated that the following revenues collectively are sufficient to finance the project over its lifespan if CO 2 utilization is coupled with CCS via the following strategies: (1) sales of CO 2 for EOR (approximately $69 million/year); (2) use of CO 2 tax credits such as amended §45Q and §48A (approximately $484 million total); and (3) sales of low-carbon electricity and marketable carbon offset/credits into carbon-constrained markets (approximately $11-$17 million/year) to West Coast consumers. These revenue estimates are broadly consistent with other studies that concluded arbitrage in JBP retail electricity sales between California and Wyoming could help to support the cost of deploying CCS at JBP. The models also indicate that maintaining a successful business case for long-term CCS -- wherein associated capture, transportation and operational costs are fully addressed at JBP -- is reliant on numerous external factors that complicate predictions. This study suggests that this site meets the CarbonSAFE program’s requirements of being able to feasibly store 50+ million metric tons of CO 2 over 25 years within the site’s stacked reservoirs, especially if coupled with pressure management strategies. This study suggests that the Nugget Sandstone and the Madison Limestone are two of the best reservoirs in the State with respect to overall storage capacity. In addition, the site’s proximity to existing CO 2 transportation networks, CO 2 -EOR opportunities, ability to sell to markets that value low-carbon electricity, Wyoming’s existing carbon regulatory framework, and a public that is well-educated with respect to energy markets and issues collectively increase the potential for implementing commercial-scale CCS adjacent to the JBP. With respect to the available technical and non-technical site data, and the reservoir quality at the study site, we suggest that this site is capable of moving directly into Phase III of the CarbonSAFE program.

01 COAL, LIGNITE, AND PEAT↗

Integration of seismic-pressure-petrophysics inversion of continuous active-seismic monitoring data for monitoring and quantifying CO 2 plume (Final Report)

The overall objective of this project is to develop and validate an integrated package of joint seismic-pressure-petrophysics inversion (jSPPI) of continuous active-source seismic monitoring dataset capable of providing real-time monitoring of CO 2 plume during geologic carbon sequestration (GCS). The three specific developments include: (a) the methodologies for fast seismic full waveform inversion of continuous active source seismic monitoring, (CASSM) datasets for simultaneously estimating velocity and attenuation, and with data assimilation; (b) joint Bayesian petrophysical inversion of seismic models and pressure data for providing and updating CO 2 saturation models; (c) the methods using multiple datasets including (Crainfield and Frio-II borehole) synthetic, laboratory, and field CASSM datasets. The outcomes of jSPPI include (a) a workflow for processing CASSM data, (b) Bayesian inversion algorithms using CASSM data and pressure response data, and (c) integration with data assimilation algorithms for continuously updating site-specific models used for prediction and reservoir management. The validation of joint FWI will be conducted using synthetic models based on the Cranfield and Frio experiments as well as field CASSM datasets collected as part of the Frio-II pilot injection. To quantify and map the mass and distribution of CO 2 (saturation), we will jointly invert velocity and attenuation measurements from the FWI with a Bayesian approach using a rock physics model for attenuation (e.g., White’s attenuation model with two selected patch sizes (White, 1976; Dutta and Seriff, 1979)). The Bayesian inversion will be applied to each time step in the CASSM survey in an updating scheme, which integrates with an ensemble of reservoir simulations at each step. A more complete experimental validation dataset will be collected as part of a mesoscale (2-3 m) gas-CO 2 injection experiment utilizing a higher frequency version of the CASSM system developed for laboratory studies; the integrated inversion will be demonstrated using this dataset which will provide both a dense geometry as well as more precise secondary confirmation measurements (e.g. saturation) typically not available in the field. The resulting real-time map of CO 2 saturation is able to provide a deeper scientific understanding of the complex, time-varying dynamics of subsurface fluid flow migration path as well as the rapid detection of CO 2 leakage hazards.

25 ENERGY STORAGE↗

An investigation of a contoured wall injector for hypervelocity mixing augmentation

An experimental and computational investigation of a contoured wall fuel injector is presented. The injector was aimed at enabling shock-enhanced mixing for the supersonic combustion ramjet engines currently envisioned for applications on hypersonic vehicles. Three-dimensional flow field surveys, and temporally-resolved planar Rayleigh scattering measurements are presented for Mach 1.7 helium injection into Mach 6 air. These experimental data are compared directly with a three-dimensional Navier-Stokes simulation of the flow about the injector array. Two dominant axial vorticity sources are identified and characterized. The axial vorticity produced strong convective mixing of the injectant with the freestream. Shock-impingement was particularly effective as it assured seeding of baroclinic vorticity directly on the helium/air interface. The vorticity coalesced into a counter-rotating vortex pair of a sense which produced migration of the helium away from the wall. The influences of spatial averaging on the representation of the flow field as well as the importance of the fluctuating component of the flow in producing molecularly-mixed fluid are addressed.

Waitz, Ian A.↗

GUI for Computational Simulation of a Propellant Mixer

Control Panel is a computer program that generates a graphical user interface (GUI) for computational simulation of a rocket-test-stand propellant mixer in which gaseous hydrogen (GH2) is injected into flowing liquid hydrogen (LH2) to obtain a combined flow having desired thermodynamic properties. The GUI is used in conjunction with software that models the mixer as a system having three inputs (the positions of the GH2 and LH2 inlet valves and an outlet valve) and three outputs (the pressure inside the mixer and the outlet flow temperature and flow rate). The user can specify valve characteristics and thermodynamic properties of the input fluids via userfriendly dialog boxes. The user can enter temporally varying input values or temporally varying desired output values. The GUI provides (1) a set-point calculator function for determining fixed valve positions that yield desired output values and (2) simulation functions that predict the response of the mixer to variations in the properties of the LH2 and GH2 and manual- or feedback-control variations in valve positions. The GUI enables scheduling of a sequence of operations that includes switching from manual to feedback control when a certain event occurs.

Figueroa, Fernando↗

Micro-channel cooling of integrated combustor nozzle of a segmented annular combustion system

A segmented annular combustion system includes integrated combustor nozzles, each of which has a fuel injection panel disposed radially between an inner liner segment and an outer liner segment. The fuel injection panel includes an aft end portion, a first side wall, a second side wall, premixing channels defined between the first side wall and the side wall, and injection outlets defined along at least one of the first side wall and the second side wall. The aft end portion defines a turbine nozzle portion. An interior portion between the first side wall and the second side wall includes walls that extend between the first and second side walls, thereby partitioning the interior portion into discrete air cavities. The liner segments may be cooled by micro-channel cooling passages, which may be fluidly coupled to a collection trough.

33 ADVANCED PROPULSION SYSTEMS↗

Coupling extended magnetohydrodynamic fluid codes with radiofrequency ray tracing codes for fusion modeling

Neoclassical tearing modes are macroscopic ($L$ ~ 1 m) instabilities in magnetic fusion experiments; if unchecked, these modes degrade plasma performance and may catastrophically destroy plasma confinement by inducing a disruption. Fortunately, the use of properly tuned and directed radiofrequency waves ($λ$ ~ 1 mm) can eliminate these modes. Numerical modeling of this difficult multiscale problem requires the integration of separate mathematical models for each length and time scale [T. G. Jenkins, S. E. Kruger, Phys. Plasmas 19 (2012) 122508]; the extended MHD model captures macroscopic plasma evolution while the RF model tracks the flow and deposition of injected RF power through the evolving plasma profiles. The scale separation enables use of the eikonal (ray-tracing) approximation to model the RF wave propagation. In this work we demonstrate a technique, based on methods of computational geometry, for mapping the ensuing RF data (associated with discrete ray trajectories) onto the finite-element/pseudospectral grid that is used to model the extended MHD physics. In the new representation, the RF data can then be used to construct source terms in the equations of the extended MHD model, enabling quantitative modeling of RF-induced tearing mode stabilization. Though our specific implementation uses the NIMROD extended MHD [C. R. Sovinec et al., J. Comp. Phys. 195 (2004) 355] and GENRAY RF [A. P. Smirnov, R. W. Harvey, K. Kupfer, Bull. Amer. Phys. Soc. 39 (1994) 1626] codes, the approach presented can be applied more generally to any code coupling requiring the mapping of ray tracing data onto Eulerian grids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Explaining the lack of power degradation of energy confinement in wide pedestal quiescent H-modes via transport modeling

Wide pedestal quiescent H (WPQH)-mode is an attractive scenario for future burning plasmas as they operate without ELMs. WPQH is characterized by formation of a wider and higher pedestal (than quiescent H-mode), and broadband fluctuations in the pedestal. Unlike conventional H-modes, where the energy confinement time reduces with increasing heating power, the WPQH plasmas reported in this paper do not show power degradation of the energy confinement. As the injected neutral beam power was increased, reduced core (ρ ≤ 0.45) transport calculated by transp, as well as increased core temperatures, pressure gradient and diamagnetic E × B shear rate were observed. The reduction in the heat transport and rapid decrease in the ion temperature gradient scale length suggest the formation of an ion internal transport barrier (ITB) that was accompanied by increased stored energy in the core. Quasilinear turbulent transport modeling using the trapped gyro Landau fluid (tglf) code was used to predict the ITB and its turbulence stability properties. By using profiles and equilibria produced by matching the transp transport fluxes with the tglf transport model within the tgyro transport solver, the energy confinement time captures the experimentally observed insensitivity to the increased PNBI. Linear stability analysis reveals that drift-wave instabilities in the core are stabilized by E × B shear, T i /T e ratio and Shafranov shift; the latter was found to have the strongest effect on the turbulence suppression at the highest heating level.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Geophysical Signatures of Crack Network Coalescence in Rocks at Multiple Length Scales

The main goal of the research project was to identify the geophysical signatures of fracture growth in natural rocks by utilizing novel geophysical techniques. The research objectives were to (a) investigate the potential for geophysical methods to determine when cracks initiate, the types and locations of propagated cracks, and the coalescence of networks of cracks in natural rocks at multiple scales, (b) determine how damage at the microscale evolved into damage at the macroscale and then link the microscopic and macroscopic observations, (c) quantify crack coalescence in rocks under realistic stress conditions using coupled mechanical-geophysical-optical visualization, and (d) identify the precursors in geophysical signals to crack coalescence. The following research thrusts were explored to achieve the research objectives: (1) uniaxial compression testing of rock specimens with and without a set of pre‐existing flaws and (2) triaxial compression testing of natural rock specimens. These thrusts allowed for exploring fracturing in rocks under realistic in situ environments and at multiple scales. This project provided educational opportunities for nine graduate and undergraduate students and resulted in 27 peer-reviewed publications. This first research thrust focused on investigating the micromechanics of fractures in rocks through uniaxial compression testing combined with advanced geophysical and imaging techniques, specifically acoustic emission (AE) monitoring, ultrasonic imaging, and 2-dimensional Digital Image Correlation (2D-DIC). By examining damage processes under time-independent and time-dependent loading conditions, insights into damage localization, crack initiation, and fracturing mechanisms were gained. It was observed that the AE signals and the strain-based measurements directly reflect the state of damage in the rock specimen and could be used to identify the cracking levels, such as the crack initiation (CI) and crack damage (CD), and the mode of deformation. A novel calibration apparatus was developed to enhance the accuracy of AE sensors, allowing for the estimation of key parameters such as magnitude, source dimension, stress drop, and radiated seismic energy associated with the fractures. The findings highlighted significant variations in the temporal evolution of AE source parameters during the primary, secondary, and tertiary stages of creep, identifying tensile cracking as the primary deformation mode. The second research thrust focused on enhancing the understanding of fracturing processes in natural rocks through triaxial compression testing, real-time AE monitoring, and ultrasonic monitoring. We investigated the impact of various factors such as fracture propagation regimes, injection parameters, rock types, and pre-existing conditions on the hydraulic fracture (HF) behavior using scaled true-triaxially loaded specimens of Barre granite and Lyons sandstone. Custom sensor housing facilitated concurrent active and passive monitoring to analyze hydro-mechanical responses and microseismicity associated with different HF scenarios. A coupled investigation of passive microseismicity and active signal attributes permitted a detailed comprehension of the various HF processes (aseismic deformation, fracture initiation and propagation, fluid permeation, and leak-off) and their dependence on the specific rock type. The findings of this research demonstrated the effectiveness of AE monitoring techniques in providing valuable insights into the impact of various factors on the behavior and dynamics of HF processes. The advancements in monitoring techniques, offering a more thorough and precise approach, represent a significant step towards optimizing HF practices and ensuring sustainable resource extraction.

58 GEOSCIENCES↗

Deterministic Discrete Fracture Network (DFN) Model for the EGS Collab Project on the 4850 Level of the Sanford Underground Research Facility (SURF)

The EGS Collab is conducting hydraulic fracture stimulation and fluid circulation experiments in the Sanford Underground Research Facility (SURF) located in Lead, South Dakota. A total of eight ~60m-long subhorizontal boreholes were drilled from the 4850 Level (~1.5 km below the ground surface) into the crystalline rock of this former mine. Six of these holes are used for geophysical monitoring, one is used for hydraulic fracture stimulation, and the remaining hole was designed as a production borehole that receives water from the injection well via the induced and natural fracture system. The primary goal of creating the discrete fracture network model is to show that these modeling methods are critical for the development of enhanced geothermal systems (EGS). This includes the prediction of rock behavior during fracturing and during an extended period of water flow between the parallel injection and production boreholes. Understanding the results from the induced fracturing and flow is complicated by the presence of significant natural fractures that interact with the stimulation and/or flow pathways. The delineation and characterization of natural fractures is thus an important part of the project, and therefore a model of the Discrete Fracture Network (DFN) was developed on a deterministic basis. The DFN was populated using observations and interpretations integrated from drift (horizontal passageways that allow access in the underground) fracture mapping, analysis of core recovered from the eight boreholes, borehole televiewer logs and videos, and observations of flow between and within boreholes and in the drift. The natural fracture system is dominated by a pervasive northwest-trending, steeply dipping shear system that is identifiable in the drifts and the core. Hydraulic fracture stimulation, flow/tracer circulation tests, and geophysical monitoring revealed that the behavior of the injected water, and perhaps the growth of induced fractures, has been significantly influenced by the existing fractures identified in the DFN.

40 EE - Geothermal Technologies Office (EE-4G)↗

Fundamental Study of a 7-Element Fuel Injector Configuration for Gas Turbine Combustors - A Look at Cold Flow and Burning Measurements

Lean direct injection (LDI) is a combustion concept to reduce oxides of nitrogen (NOx) for next generation aircraft gas turbine engines. These newer engines have cycles that increase fuel efficiency through increased operating pressures, which increase combustor inlet temperatures. NOx formation rates increase with higher temperatures, and the LDI strategy is to avoid high temperature by staying fuel lean and away from stoichiometric burning. Thus, LDI relies on rapid and uniform fuel/air mixing. Additionally, in combustors for smaller core engines, the area and volume bring about mixing and time scale challenges not found in larger engines. As part of our parametric study in which we vary swirler angle and orientation and look at their effect on fluid mixing and combustion, we examine one configuration of a 7-point lean direct injector by looking at the non-combusting 2-D velocity field using PIV, and combusting system for chemical species using chemiluminescent imaging and flame spectroscopy. The circular 7-point array consists of axial swirlers, with the center 60° swirler surrounded by six 52° swirlers. The velocity results for this configuration show that the outer swirlers serve to isolate the center flow field near the injector exit. A recirculation zone forms downstream of the center swirler, but not behind the outer swirlers. The combusting results also show an isolated zone directly downstream of the center injector. The flame spectra show variation in speciation of combustion species such as OH*, C3*, CH*, and C2* as a function of position within the combustor.

lean direct injection↗

Combined Modeling of Acceleration, Transport, and Hydrodynamic Response in Solar Flares: The Numerical Model - 1

Acceleration and transport of high-energy particles and fluid dynamics of atmospheric plasma are interrelated aspects of solar flares, but for convenience and simplicity they were artificially separated in the past. We present here self consistently combined Fokker-Planck modeling of particles and hydrodynamic simulation of flare plasma. Energetic electrons are modeled with the Stanford unified code of acceleration, transport, and radiation, while plasma is modeled with the Naval Research Laboratory flux tube code. We calculated the collisional heating rate directly from the particle transport code, which is more accurate than those in previous studies based on approximate analytical solutions. We repeated the simulation of Mariska et al. with an injection of power law, downward-beamed electrons using the new heating rate. For this case, a -10% difference was found from their old result. We also used a more realistic spectrum of injected electrons provided by the stochastic acceleration model, which has a smooth transition from a quasi-thermal background at low energies to a non thermal tail at high energies. The inclusion of low-energy electrons results in relatively more heating in the corona (versus chromosphere) and thus a larger downward heat conduction flux. The interplay of electron heating, conduction, and radiative loss leads to stronger chromospheric evaporation than obtained in previous studies, which had a deficit in low-energy electrons due to an arbitrarily assumed low-energy cutoff. The energy and spatial distributions of energetic electrons and bremsstrahlung photons bear signatures of the changing density distribution caused by chromospheric evaporation. In particular, the density jump at the evaporation front gives rise to enhanced emission, which, in principle, can be imaged by X-ray telescopes. This model can be applied to investigate a variety of high-energy processes in solar, space, and astrophysical plasmas.

STOCHASTIC ACCELERATION MODEL↗

Fuel Property Effects on Knock Propensity and Thermal Efficiency in a Direct-Injection Spark-Ignition Engine

Engine knock remains one of the major barriers to further improvement in thermal efficiency of Direct-Injection Spark-Ignition (DISI) engines. While Research Octane Number and Motor Octane Number are often used as standard rating methods for knock resistance of fuels, the impacts of other fuel properties on knock propensity in modern engines such as heat of vaporization (HoV) and laminar flame speed (LFS) require better understanding in order to co-optimize fuels and engine designs to achieve higher thermal efficiency and lower CO2 emission. In the present study, computational fluid dynamics (CFD) is used to model a boosted DISI engine with a focus on knock prediction and fuel property effects. A level-set G-equation model is employed to capture turbulent premixed combustion, and is coupled with a transported Livengood-Wu (L-W) integral approach to predict autoignition in the unburnt region. A criterion associated with the L-W integral is developed to accurately predict knock onset and knock-limited spark-advance. This model is then applied to a sensitivity analysis of HoV and LFS on knock tendency and thermal efficiency. The pressure-temperature trajectory framework is applied and extended to study the fuel effects on auto-ignition process in the engine. An existing efficiency-based merit function, which is derived from experiments for boosted SI engines, is evaluated and improved based on the current CFD results.

DISI↗

Calibration of NMR porosity to estimate permeability in carbonate reservoirs

Considering the performance of carbon dioxide (CO 2 ) stored in geologic reservoirs requires some knowledge of the subsurface heterogeneity, where the most reliable data is extracted from wellbore measurements. This benefit is especially true for carbonate reservoirs were reactions between supercritical CO 2 , the reservoir brine, and carbonate minerals create new storage capacity and enhanced permeability. Techniques like NMR well logging hold promise for estimating subsurface permeability, because the total porosity and pore size can be calculated from response of 1 H NMR signal. Resulting depth profiles of porosity and permeability from downhole logs are useful input for reservoir simulations and can be used to design injection protocols and estimate storage capacity. We conducted a detailed characterization study to quantify the NMR response to matrix pore space, the connectivity to larger vugs and fractures, and the resulting permeability of core samples from distinct carbonate formations. The cores used in study span 5 orders in permeability, 4 orders in mean T 2 , and 2%–42% in porosity. The goal of the study was to use independent measures of pore volumes, surface relaxivity, fluid-accessible surface areas, and permeability to develop carbonate permeability models. It was not possible to develop a single model that reproduced permeability for different carbonate formations, because phenomena specific to the reservoirs could not be extracted even with the state-of-the-art characterization techniques used in this study. Estimates of permeability require calibration. Best calculations for a given formation were achieved by using a simple form of the Kozeny equation (Eq. 6): κ=Α’θ 3*n , and calibrating A’ and n with laboratory measurements made on the formation cores. Empirical calibrations can then be used to map the vertical heterogeneity of the storage complex to better understand the physical movement CO 2 and brine in the subsurface and the positive feedback between mineral dissolution and the development of flow pathways.

54 ENVIRONMENTAL SCIENCES↗

Investigation of the influence of geomechanical and hydrogeological properties on surface uplift at In Salah [Systematic investigation of the influence of geomechanical and hydrogeological properties on surface uplift at In Salah]

Coupled reservoir and geomechanical simulations are significantly important to understand the long-term behavior of geologic carbon storage (GCS) systems. In this study, we performed coupled fluid flow and geomechanical modeling of CO 2 storage using available field data to (1) validate our existing numerical model and (2) perform parameter estimation via inverse modeling to identify the impact of key geomechanical (Young's modulus and Biot's coefficient) and hydrogeological (permeability and anisotropy ratio) properties on surface uplift and the pore pressure buildup at In Salah in Algeria. Furthermore, two sets of surface uplift data featuring low and high uplifts above two injection wells and the maximum change in the pore pressure due to CO 2 injection were used to constrain the inverse model.

58 GEOSCIENCES↗

Chemical Reactor Network Modeling of Ammonia Rich-Quench-Lean Combustion Using a Partially Stirred Reactor Approach

Ammonia is a promising alternative to hydrogen with high energy density and favorable storage and transport characteristics. However, low flammability and a propensity for high nitrogen oxide (NO x ) emissions make direct utilization challenging. Recently, two-stage rich-quench-lean (RQL) combustion strategies have shown promise in achieving low NO x emissions with ammonia. In this approach, the rich stage serves to oxidize a portion of the fuel while thermally decomposing as much of the remaining ammonia as possible, generating hydrogen. In the second (lean) stage, air is rapidly introduced, burning out the hydrogen and residual ammonia. Two-stage RQL combustion of ammonia has been investigated in the open literature both experimentally and numerically. In general, idealized chemical reactor network (CRN) models predict NO x concentrations below those of 2D/3D computational fluid dynamics models and experiments. The primary drivers of these discrepancies may be largely attributed to finite rate mixing nonadiabatic operation. The typical CRN model is comprised of a perfectly-stirred-reactor (PSR), followed by a plug-flow-reactor (PFR), meant to represent the flame, and postflame zones, respectively. In the two-stage RQL approach two PSR-PFR networks are arranged sequentially, corresponding to the rich and lean stages, with secondary air injection in between. In the authors' past work, this arrangement has demonstrated the significant sensitivity of exit NO x to the rich stage equivalence ratio, while the amount of secondary air injection was shown to be less critical. In this paper, the CRN model is extended to (1) include the impacts of heat loss and (2) utilize a partially-stirred-reactor (PaSR) approach to study the impacts of mixing on emissions performance. Varying amounts of heat loss are applied to the rich relaxation zone to understand emissions performance and changes to optimization of equivalence ratio and residence time. Premixed and nonpremixed configurations are considered in the rich stage PaSR, with varying degrees of mixing intensity to study the interaction between mixing, transport, and kinetic timescales. Critically, the impact of mixing between hot products and secondary air injection is studied to understand practical injector needs. Results show unburnt ammonia leaving the rich stage as a primary contributor to NO x emissions – driven both by increased heat loss and reduced mixing rates. Furthermore, heat losses have been shown to create conditions that are conducive to increased N 2 O formation in the lean stage. In conclusion, the results of this study will be considered in the context of developing optimized two-stage RQL combustors for ammonia.

Combustion↗

Modeling of internal and near-nozzle flow for a GDI fuel injector

A numerical study of two-phase flow inside the nozzle holes and the issuing spray jets for a multi-hole direct injection gasoline injector has been presented in this work. The injector geometry is representative of the Spray G nozzle, an eight-hole counterbore injector, from the Engine Combustion Network (ECN). Simulations have been carried out for a fixed needle lift. Effects of turbulence, compressibility and non-condensable gases have been considered in this work. Standard k -ε turbulence model has been used to model the turbulence. Homogeneous Relaxation Model (HRM) coupled with Volume of Fluid (VOF) approach has been utilized to capture the phase change phenomena inside and outside the injector nozzle. Three different boundary conditions for the outlet domain have been imposed to examine non-flashing and evaporative, non-flashing and non-evaporative and flashing conditions. Noticeable hole-to-hole variations have been observed in terms of mass flow rates for all the holes under all the operating conditions considered in this study. Inside the nozzle holes mild cavitation-like and in the near-nozzle region flash boiling phenomena have been predicted when liquid fuel is subjected to superheated ambiance. Under favorable conditions considerable flashing has been observed in the near-nozzle regions. An enormous volume is occupied by the gasoline vapor, stantial computational cost. Volume-averaging instead of mass-averaging is observed to be more effective, especially for finer mesh resolutions.

42 ENGINEERING↗