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DOE OSTI2025

Analysis of the impact of parallel magnetic fluctuations on linear gyrokinetic stability in NSTX-U and verification of gyro-fluid models

In this work, we use the CGYRO gyrokinetic code to analyze two L- and one H-mode discharges from the National Spherical Torus Experiment (NSTX) and NSTX-Upgrade (NSTX-U) selected due to their different mix of ion-scale driftwaves, ion temperature gradient (ITG) mode and trapped electron mode (TEM), and electromagnetic instabilities, kinetic ballooning mode (KBM), and micro-tearing mode (MTM) in the plasma core. It is found that the effect of parallel magnetic fluctuations is strongly destabilizing to the unstable KBMs compared to calculations with only perpendicular magnetic fluctuations. Two discharges have a mix of ITG/TEM and MTMs that are predicted to be dominant instability across the plasma radius. The parallel magnetic fluctuations are found to have little effect on the MTM stability but are destabilizing to ITG/TEM modes. To test the validity of the gyro-fluid linear stability codes TGLF and GFS at low aspect ratio, a database of linear growth rates has been created using the CGYRO gyrokinetic code. The database is comprised of various parameter scans around a standardized set of NSTX-U core parameters. It contains a group of electrostatic cases and an electromagnetic group that includes the effects of perpendicular and parallel magnetic fluctuations. Comparing the results from the GFS and TGLF models, we find that GFS exhibits the best agreement with the database of CGYRO linear growth rates. Comparing the model results for the electromagnetic scans shows that GFS captures the effects of parallel magnetic fluctuations accurately, while the TGLF model does not, as it lacks sufficient perpendicular energy resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Solubility Behavior of CO 2 in Ionic Liquids Based on Ionic Polarity Index Analyses

Ionic liquids (ILs) can serve as effective CO 2 solvents with an appropriate selection of different anions and cations. However, due to the large library of potential IL compositions, rapid screening methods are needed for characterizing and ranking the expected properties. We have recently proposed the ionic polarity index (IPI) parameter, effectively connecting volume-based approaches and electrostatic potential analyses, providing a single metric that can potentially be used to rapidly screen for desirable IL properties. In this work, the corresponding anion and cation IPIs are used to generate correlations with respect to the CO 2 volumetric solubility in ILs. The relationships are generally applicable to groups of ILs within a homologous ion series, and this can be particularly valuable for pre-screening different ion pairings for maximizing gas solvation performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Spectral filtering for plant production

Both plants and animals have one general commonality in their perception of light. They both are sensitive primarily to the 400 to 700 nm wavelength portion of the electromagnetic spectrum. This is referred to as the visible spectrum for animals and as the photosynthetically active radiation (PAR) spectrum for plants. Within this portion of the spectrum, animals perceive colors. Relatively recently it has been learned that within this same spectral range plants also demonstrate varying responses at different wavelengths, somewhat analogous to the definition of various colors at specific wavelengths. Although invisible to the human eye, portions of the electromagnetic spectrum on either side of the visible range are relatively inactive photosynthetically but have been found to influence important biological functions. These portions include the ultraviolet (UV approximately equal to 280-400 nm) and the far-red (FR approximately equal to 700-800 nm). The basic photoreceptor of plants for photosynthesis is chlorophyll. It serves to capture radiant energy which combined with carbon dioxide and water produces oxygen and assimulated carbon, used for the synthesis of cell wall polysaccarides, proteins, membrane lipids and other cellular constituents. The energy and carbon building blocks of photosynthesis sustain growth of plants. On the other hand, however, there are other photoreceptors, or pigments, that function as signal transducers to provide information that controls many physiological and morphological responses of how a plant grows. Known photomorphogenic receptors include phytochrome (the red/far-red sensor in the narrow bands of 655-665 nm and 725-735 nm ranges, respectively) and 'cryptochrome' (the hypothetical UV-B sensor in the 280-320 nm range). Since the USDA team of W. L. Butler, S. B. Hendricks, H. A. Borthwick, H. A. Siegleman and K. Norris in Beltsville, MD detected by spectroscopy, extracted and identified phytochrome as a protein in the 1950's, many other investigators have found evidence of its control functions in plants. Considerably less, however, is known about the yet non-isolated cryptochrome. The information-transferring roles of photoreceptors in plants at specific spectral ranges quite naturally stimulated plant scientists and engineers to consider physically manipulating light to achieve desired physiological and morphological characteristics. One way to manipulate light is to filter it through materials that selectively transmit portions of the sun's spectrum in and near the PAR range.

Young, Roy E.↗

NASA NTRSDate not supplied

The Aeolus-Earth DWTS Heliophysics Mission

The Aeolus-Earth Mission (DWTS-Helio) is a recently selected NASA Heliophysics investigation that will apply the innovative Doppler Wind Temperature Sounder (DWTS) technique to the Space Atmosphere Interaction Region (SAIR) at ~105-180 km. The technique, invented by Gordley & Marshall (2011), applies the Doppler Scanning with Gas Filter (DSGF) technique using a cryo-cooled MWIR radiometer to view the limb of the atmosphere from LEO (orbital velocity creates the Doppler shifts required by the technique). For this implementation of DWTS, a Nitric Oxide (NO) low pressure gas cell is used. The limb of the atmosphere is observed from a spacecraft at orbital velocity, and as an observed air volume passes through the field of view, this velocity creates a set of Doppler-shifted images. These images are used to create Doppler Integrated Pass (DIP) signals, from which atmospheric temperature and wind profiles are extracted (it may be considered a converse of the successful in-flight calibration of gas cells used for the HALOE instrument). The technique is relative, removing the need for absolute radiances, and the signal-to-noise ratio for this technique is high, resulting in good measurement precision. Different gas cells can be used to create different altitude coverage and may be combined to measure a more continuous altitude range. For example, using a NO cell captures the lower atmosphere from 30-50km as well as the SAIR, while using the 13 isotopologue of CO2 would capture 50-120km. Due to the desired data volume as well as power and thermal considerations, this initial Aeolus-Earth flight will be more suited for a ‘hosted’ payload on an Orbital Maneuvering Vehicle platform instead of the ‘free-flyer’ option originally investigated. Lastly, the technique is sufficiently powerful that a two-channel system could produce full Mars atmosphere data not currently possible.

DWTS↗

DOE OSTI2023

Advancing energy storage through solubility prediction: leveraging the potential of deep learning

Solubility prediction plays a crucial role in energy storage applications, such as redox flow batteries, because it directly affects the efficiency and reliability. Researchers have developed various methods that utilize quantum calculations and descriptors to predict the aqueous solubilities of organic molecules. Notably, machine learning models based on descriptors have shown promise for solubility prediction. As deep learning tools, graph neural networks (GNNs) have emerged to capture complex structure–property relationships for material property prediction. Specifically, MolGAT, a type of GNN model, was designed to incorporate n-dimensional edge attributes, enabling the modeling of intricacies in molecular graphs and enhancing the prediction capabilities. In a previous study, MolGAT successfully screened 23 467 promising redox-active molecules from a database of over 500 000 compounds, based on redox potential predictions. This study focused on applying the MolGAT model to predict the aqueous solubility (log S) of a broad range of organic compounds, including those previously screened for redox activity. The model was trained on a diverse sample of 8494 organic molecules from AqSolDB and benchmarked against literature data, demonstrating superior accuracy compared with other state of the art graph-based and descriptor-based models. Subsequently, the trained MolGAT model was employed to screen redox-active organic compounds identified in the first phase of high-throughput virtual screening, targeting favorable solubility in energy storage applications. The second round of screening, which considered solubility, yielded 12 332 promising redox-active and soluble organic molecules suitable for use in aqueous redox flow batteries. Thus, the two-phase high-throughput virtual screening approach utilizing MolGAT, specifically trained for redox potential and solubility, is an effective strategy for selecting suitable intrinsically soluble redox-active molecules from extensive databases, potentially advancing energy storage through reliable material development. This indicates that the model is reliable for predicting the solubility of various molecules and provides valuable insights for energy storage, pharmaceutical, environmental, and chemical applications.

25 ENERGY STORAGE↗

DOE OSTI2024

CarbonSAFE Phase II: Optimizing Alabama’s CO 2 Storage in Shelby County, Alabama (Project OASIS), Milestone M3 - Site Specific Drilling Report

The Phase II Storage Complex Feasibility project, entitled "Optimizing Alabama's CO 2 Storage in Shelby County, Alabama (Project OASIS)," is a part of the DOE/NETL's CarbonSAFE initiative. The Project is managed by the Southern States Energy Board (SSEB), and includes participation from Advanced Resources International, Inc. (ARI), Crescent Resource Innovation, Southern Company, Alabama A&M University, Auburn University, and Oklahoma State University. Project OASIS is working to establish the foundation for a commercial-scale geologic storage complex for CO 2 captured from Plant Gaston (home of the National Carbon Capture Center) and surrounding industrial sources of CO 2 located in Shelby County, Alabama. The Project objectives are: • Demonstrate that the subsurface saline formations at the storage complex can store commercial volumes of CO 2 safely and permanently. • Develop a comprehensive Community Benefits Plan. • Develop the infrastructure framework for a CO 2 storage hub. • Develop a rigorous risk registry and to conduct a comprehensive risk assessment. • Develop a monitoring plan. • Develop a comprehensive site characterization plan to support an Underground Injection Control Class VI Permit in a future Phase III program. • Evaluate the commercial viability of the project. Project OASIS is about 30 miles southeast of Birmingham, Alabama within a geologic province called the Valley and Ridge (Figure 1.1). The Valley and Ridge Province comprises a sequence of Paleozoic carbonate and clastic rocks that underwent structural deformation during the Alleghanian Orogeny. Storage prospects occur in relatively flat lying structural panels located between thrust faults. Available geologic studies related to hydrocarbon exploration suggest that Cambro-Ordovician carbonates and Cambrian clastic units offer multiple potential storage intervals, and that regional confining systems are present, such as the tectonically thickened Floyd-Parkwood Shale. The surface property is owned by a timber and land stewardship company, The Westervelt Company, Inc., who worked with the Project Team to select and prepare adequate sites for geologic assessment. The purpose of drilling the Westover Stratigraphic Test Well #2 was to collect geologic data to model the feasibility of commercial scale CO 2 injection and storage. This includes geological and geophysical evaluations, reservoir engineering analyses, and risk assessments.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2022

Flowability of Crumbler Rotary Shear Size-Reduced Granular Biomass: An Experiment-Informed Modeling Study on the Angle of Repose

Biomass has potential as a carbon-neutral alternative to petroleum for chemical and energy products. However, complete replacement of fossil fuel is contingent upon efficient processes to eliminate undesirable characteristics of biomass, e.g., low bulk density, variability, and storage-induced quality problems. Mechanical size reduction via comminution is a processing operation to engineer favorable biomass flowability in handling. Crumbler rotary shear mill has been empirically demonstrated to produce more uniformly shaped particles with higher flowability than hammermilled biomass. This study combines modeling and experimentation to unveil fundamental understandings of the relation between granular particle characteristics and biomass flow behavior, which elucidate underlying mechanisms and guide selection of critical processing parameters. For this purpose, the impact of critical material attributes, including particle size (2–6 mm), particle shape (briquette, chip, clumped-sphere, cube, etc.), and surface roughness, on the angle of repose (AOR) of milled pine chips were investigated using discrete element method (DEM) simulations. Forest Concepts Crumbler rotary shear system is used to produce milled pine particles within the same size range considered in DEM simulations. AOR of different sets of these particles were measured experimentally to benchmark DEM results against experimental data. Specific energy consumption for the comminution of biomass with different particle size and moisture content are measured for technoeconomic analysis. Our results show that the smaller size (2 mm) of pine particle achieves better followability (i.e., smaller AOR) while the energy cost of comminution is significantly higher and bulk density is almost the same as the 6-mm pine particles. For the 2-mm particle size, Crumbles from veneer have better flow properties than Crumbles from chips. Contrarily, no significant difference was observed between the AOR of the two materials for the 6-mm particle size. Furthermore, from DEM simulations, mechanical interlocking between particles was found as a dominant factor in determining AOR of complex-shaped particles such as milled pine, which cannot be accurately captured by using simple particle shapes (e.g., mono-sphere) with a rolling resistance model. Conversely, clumped-sphere model alleviates this limitation without increasing computational cost significantly and can be used for accurate representation of biomass granular particles when simulating free-flow behavior.

09 BIOMASS FUELS↗

NASA NTRS2021

Boundary Layer Instabilities Over a Cone-Cylinder-Flare Model at Mach 6

Computations are performed to investigate the boundary-layer instabilities over a sharp cone-cylinder-flare model at zero degrees angle of attack. The model geometry and the flow conditions are selected to match the experiments conducted in the Boeing/AFOSR Mach 6 Quiet Tunnel (BAM6QT) at Purdue University. The geometry consists of a nominally sharp 5-degree half-angle cone, followed by a cylindrical segment and then a 10-degree flare. An axisymmetric separation bubble is generated as a result of the laminar shock/boundary-layer interaction in the cylinder-flare region. The comparison of the laminar flow solution and the schlieren images shows a remarkable agreement between the respective locations of both the boundarylayer edge and the reattachment shock. The predicted heat flux distribution is also in agreement with the measured values downstream of the reattachment location. The analysis of convective and global instabilities is performed for flare half angles equal to 8, 10, and 12 degrees and nosetip radii equal to 0.1, 1, and 5 mm. The linear amplification of first and second Mack mode instabilities that begin to amplify in the cone region are computed with a combination of the parabolized stability equations (PSE) and the harmonic linearized Navier-Stokes equations (HLNSE). The predicted frequency spectra of the surface pressure fluctuations associated with both planar and oblique instability waves are compared with the measured spectra at the various locations of the PCB and Kulite sensors. The comparison shows that the computational analysis captures the distinct lobes within the disturbance amplification spectra measured in the experiments, but some differences in amplification characteristics are noted at low frequencies. Overall, the oblique disturbances are found to be more amplified than the planar disturbances. To our knowledge, this represents the first successful comparison between convective instability analysis and measured surface pressure fluctuations for a hypersonic configuration with a separation bubble. Finally, the global instability analysis shows that the laminar flow becomes supercritical for flare half angles larger than 8 degrees. The unstable global mode for the experimental configuration of a 10 degrees flare and a sharp nosetip cone corresponds to a stationary three-dimensional disturbance that is concentrated in the recirculation region and achieves its maximum growth rate for an azimuthal wavenumber of 5.

Boundary layer transition↗

NASA NTRS2022

Boundary Layer Instabilities Over a Cone-Cylinder-Flare Model at Mach 6

Hydrodynamic instability↗

NASA NTRS2017

Automation of POST Cases via External Optimizer and "Artificial p2" Calculation

During early conceptual design of complex systems, speed and accuracy are often at odds with one another. While many characteristics of the design are fluctuating rapidly during this phase there is nonetheless a need to acquire accurate data from which to down-select designs as these decisions will have a large impact upon program life-cycle cost. Therefore enabling the conceptual designer to produce accurate data in a timely manner is tantamount to program viability. For conceptual design of launch vehicles, trajectory analysis and optimization is a large hurdle. Tools such as the industry standard Program to Optimize Simulated Trajectories (POST) have traditionally required an expert in the loop for setting up inputs, running the program, and analyzing the output. The solution space for trajectory analysis is in general non-linear and multi-modal requiring an experienced analyst to weed out sub-optimal designs in pursuit of the global optimum. While an experienced analyst presented with a vehicle similar to one which they have already worked on can likely produce optimal performance figures in a timely manner, as soon as the "experienced" or "similar" adjectives are invalid the process can become lengthy. In addition, an experienced analyst working on a similar vehicle may go into the analysis with preconceived ideas about what the vehicle's trajectory should look like which can result in sub-optimal performance being recorded. Thus, in any case but the ideal either time or accuracy can be sacrificed. In the authors' previous work a tool called multiPOST was created which captures the heuristics of a human analyst over the process of executing trajectory analysis with POST. However without the instincts of a human in the loop, this method relied upon Monte Carlo simulation to find successful trajectories. Overall the method has mixed results, and in the context of optimizing multiple vehicles it is inefficient in comparison to the method presented POST's internal optimizer functions like any other gradient-based optimizer. It has a specified variable to optimize whose value is represented as optval, a set of dependent constraints to meet with associated forms and tolerances whose value is represented as p2, and a set of independent variables known as the u-vector to modify in pursuit of optimality. Each of these quantities are calculated or manipulated at a certain phase within the trajectory. The optimizer is further constrained by the requirement that the input u-vector must result in a trajectory which proceeds through each of the prescribed events in the input file. For example, if the input u-vector causes the vehicle to crash before it can achieve the orbital parameters required for a parking orbit, then the run will fail without engaging the optimizer, and a p2 value of exactly zero is returned. This poses a problem, as this "non-connecting" region of the u-vector space is far larger than the "connecting" region which returns a non-zero value of p2 and can be worked on by the internal optimizer. Finding this connecting region and more specifically the global optimum within this region has traditionally required the use of an expert analyst.

Dees, Patrick D.↗

DOE OSTI2024

Optimizing Alabama’s CO 2 Storage in Shelby County (Project OASIS) Milestone 6.0: Evaluation of Class VI Readiness

Introduction. Project OASIS is approximately 30 miles southeast of Birmingham, Alabama, and approximately 5 miles north-northwest of Alabama Power Company's Plant Gaston. Geologically, the Project area is in the Alabama fold and thrust belt province. This work builds on the initiatives of the Southeast Regional Carbon Utilization and Storage Acceleration Partnership (SECARB-USA, DE-FE0031830) that identified nearly 500 million metric tonnes of CO 2 emitted on an annual basis that is not collocated with prospective storage geology (the Coastal Plain of the Southeastern US in this context). This observation suggests costly investments in connective infrastructure (e.g., pipelines) or exploratory well drilling campaigns to identify CO 2 storage opportunities in under explored areas. While not traditionally thought of for saline storage, these studies suggest that storage prospects in the Valley and Ridge Province occur in relatively flat lying structural panels between thrust faults. For the Project OASIS region, available geologic studies related to hydrocarbon exploration suggest that Cambro-Ordovician carbonates and Cambrian clastic units offer multiple potential storage intervals, and that regional confining systems are present, such as the tectonically thickened Floyd-Parkwood Shale. The Project OASIS surface property is owned by a timber and land stewardship company, The Westervelt Company, Inc., who worked with the Project Team to select and prepare adequate sites for geologic assessment. The purpose of drilling the Westover Stratigraphic Test Well #2 was to collect geologic data to model the feasibility of commercial scale CO 2 injection and storage in an under explored region. This initiative benefits the regions emitters as the data generated from this study can inform their own internal decision making. The field program included geological and geophysical evaluations, reservoir engineering analyses, and risk assessments. This report evaluates existing data, as well as a variety of modeling scenarios to evaluate project readiness. Importantly, the impact of this study is not limited to Alabama as there are numerous large emitters throughout Appalachia, in similar geologic settings, contemplating their decarbonization options.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2022

Meso- to microscale modeling of atmospheric stability effects on wind turbine wake behavior in complex terrain

Abstract. Terrain-induced flow phenomena modulate wind turbine performance and wake behavior in ways that are not adequately accounted for in typical wind turbine wake and wind plant design models. In this work, we simulate flow over two parallel ridges with a wind turbine on one of the ridges, focusing on conditions observed during the Perdigão field campaign in 2017. Two case studies are selected to be representative of typical flow conditions at the site, including the effects of atmospheric stability: a stable case where a mountain wave occurs (as in ∼ 50 % of the nights observed) and a convective case where a recirculation zone forms in the lee of the ridge with the turbine (as occurred over 50 % of the time with upstream winds normal to the ridgeline). We use the Weather Research and Forecasting Model (WRF), dynamically downscaled from the mesoscale (6.75 km resolution) to microscale large-eddy simulation (LES) at 10 m resolution, where a generalized actuator disk (GAD) wind turbine parameterization is used to simulate turbine wakes. We compare the WRF–LES–GAD model results to data from meteorological towers, lidars, and a tethered lifting system, showing good qualitative and quantitative agreement for both case studies. Significantly, the wind turbine wake shows different amounts of vertical deflection from the terrain and persistence downstream in the two stability regimes. In the stable case, the wake follows the terrain along with the mountain wave and deflects downwards by nearly 100 m below hub height at four rotor diameters downstream. In the convective case, the wake deflects above the recirculation zone over 40 m above hub height at the same downstream distance. Overall, the WRF–LES–GAD model is able to capture the observed behavior of the wind turbine wakes, demonstrating the model's ability to represent wakes over complex terrain for two distinct and representative atmospheric stability classes, and, potentially, to improve wind turbine siting and operation in hilly landscapes.

17 WIND ENERGY↗

NASA NTRS1990

A simulation survey of galaxy interactions

Many carefully selected samples of interacting galaxies have been observed extensively in attempts to clarify whether interaction produces activity in galaxies. Because the sample members represent a wide range of encounter parameters and times, one can then study whether there are correlations between observable encounter features and, for example, Seyfert activity. On the other hand, in theoretical studies, simulations typically deal with either time-consuming detailed modelling of single galaxy pairs or tracing a few model encounters over time. The authors extend the observational survey approach by combining it with a simulation survey. The authors are conducting a survey of model encounters, covering the most important encounter parameters over a wide range. Some parameters, such as companion structure and initial velocity, are demonstratably less important and can be ignored in a first pass. The parameter range must be richly enough sampled so that the authors can evaluate the uniqueness of the observable morphology and velocity structure of the resulting simulated pairs to diagnose unobservable companion orbit parameters. They are using a self-gravitating polar n-body code run on the Cray X-MP at the Alabama Supercomputer Network. For each simulation, the authors have stellar and gas distributions predicted over, typically, a billion years, along with information on gas motions within the disk and any material captured by the companion or lost to the system. Features of disturbed spiral galaxies are sensitive enough to time and encounter parameters so that a match of the simulation survey results to observations can be applied as starting points to infer unobservable orbital or system parameters in actual sample members. This should enable them to examine whether interesting observed properties (Seyfert activity, nuclear star-formation rate) are functions of unobservable dynamical properties which characterize each encounter. Any correlations (or lack of some expected ones) will provide strong clues as to how or whether these phenomena are related to interactions. Aside from its use with such observed samples, this survey should greatly speed determination of initial orbital parameters for more detailed subsequent simulations of individual systems.

Byrd, Gene G.↗

NASA NTRS2009

Guaranteeing Failsafe Operation of Extended-Scene Shack-Hartmann Wavefront Sensor Algorithm

A Shack-Hartmann sensor (SHS) is an optical instrument consisting of a lenslet array and a camera. It is widely used for wavefront sensing in optical testing and astronomical adaptive optics. The camera is placed at the focal point of the lenslet array and points at a star or any other point source. The image captured is an array of spot images. When the wavefront error at the lenslet array changes, the position of each spot measurably shifts from its original position. Determining the shifts of the spot images from their reference points shows the extent of the wavefront error. An adaptive cross-correlation (ACC) algorithm has been developed to use scenes as well as point sources for wavefront error detection. Qualifying an extended scene image is often not an easy task due to changing conditions in scene content, illumination level, background, Poisson noise, read-out noise, dark current, sampling format, and field of view. The proposed new technique based on ACC algorithm analyzes the effects of these conditions on the performance of the ACC algorithm and determines the viability of an extended scene image. If it is viable, then it can be used for error correction; if it is not, the image fails and will not be further processed. By potentially testing for a wide variety of conditions, the algorithm s accuracy can be virtually guaranteed. In a typical application, the ACC algorithm finds image shifts of more than 500 Shack-Hartmann camera sub-images relative to a reference sub -image or cell when performing one wavefront sensing iteration. In the proposed new technique, a pair of test and reference cells is selected from the same frame, preferably from two well-separated locations. The test cell is shifted by an integer number of pixels, say, for example, from m= -5 to 5 along the x-direction by choosing a different area on the same sub-image, and the shifts are estimated using the ACC algorithm. The same is done in the y-direction. If the resulting shift estimate errors are less than a pre-determined threshold (e.g., 0.03 pixel), the image is accepted. Otherwise, it is rejected.

Sidick, Erikin↗

NASA NTRS2024

Global Sensitivity Analysis of Simulated Remote Sensing Polarimetric Observations Over Snow

This study presents a detailed theoretical assessment of the information content of passive polarimetric observations over snow scenes, using a global sensitivity analysis (GSA) method. Conventional sensitivity studies focus on varying a single parameter while keeping all other parameters fixed. In contrast, the GSA correctly addresses the covariance of state parameters across their entire parameter space, hence favoring a more correct interpretation of inversion algorithms and the optimal design of their state vectors. The forward simulations exploit a vector radiative transfer model to obtain the Stokes vector emerging at the top of the atmosphere for different solar zenith angles, when the bottom boundary consists of a vertically resolved snowpack of non-spherical grains. The presence of light-absorbing particulates (LAPs), either embedded in the snow or aloft in the atmosphere above in the form of aerosols, is also considered. The results are presented for a set of wavelengths spanning the visible (VIS), near-infrared (NIR), and shortwave infrared (SWIR) region of the spectrum. The GSA correctly captures the expected, high sensitivity of the reflectance to LAPs in the VIS–NIR and to grain size at different depths in the snowpack in the NIR–SWIR. With adequate viewing geometries, mono-angle measurements of total reflectance in the VIS–SWIR (akin to those of the Moderate Resolution Imaging Spectroradiometer, MODIS) resolve grain size in the top layer of the snowpack sufficiently well. The addition of multi-angle polarimetric observations in the VIS–NIR provides information on grain shape and microscale roughness. The simultaneous sensitivity in the VIS–NIR to both aerosols and snow-embedded impurities can be disentangled by extending the spectral range to the SWIR, which contains information on aerosol optical depth while remaining essentially unaffected when the same particulates are mixed with the snow. Multi-angle polarimetric observations can therefore (i) effectively partition LAPs between the atmosphere and the surface, which represents a notorious challenge for snow remote sensing based on measurements of total reflectance only and (ii) lead to better estimates of grain shape and roughness and, in turn, the asymmetry parameter, which is critical for the determination of albedo. The retrieval uncertainties are minimized when the degree of linear polarization is used in place of the polarized reflectance. The Sobol indices, which are the main metric for the GSA, were used to select the state parameters in retrievals performed on data simulated for multiple instrument configurations. Improvements in retrieval quality with the addition of measurements of polarization, multi-angle views, and different spectral channels reflect the information content, identified by the Sobol indices, relative to each configuration. The results encourage the development of new remote sensing algorithms that fully leverage multi-angle and polarimetric capabilities of modern remote sensors. They can also aid flight planning activities, since the optimal exploitation of the information content of multi-angle measurements depends on the viewing geometry. The better characterization of surface and atmospheric parameters in snow-covered regions advances research opportunities for scientists of the cryosphere and ultimately benefits albedo estimates in climate models.

remote sensing↗

DOE OSTI2022

Hydrogen Storage for Flexible Fossil Fuel Power Generation: Integration of Underground Hydrogen Storage with Gas Turbine (Final Report)

As the nation continues to encourage, through market structures and financial incentives, the proliferation of intermittent renewable electricity, how to optimize the ever-changing electric grid and identify means to retain and improve resilience, while ensuring continued reductions in GHG emissions, will be critical. According to Bloomberg, wind & solar generated 10.5% of US electricity in 2020 and that percentage continues to grow. In support of expanding renewable energy use, and to address its intermittent nature, this project will develop the Hydrogen Storage for Flexible Fossil Fuel Power Generation platform that is dispatchable, reliable, repeatable and have the ability to produce zero or negative carbon power while interfacing with geology capable of CO2 and hydrogen storage. GTI Energy (GTIE) and team members Illinois State Geological Survey (ISGS), Mitsubishi Heavy Industries America (MHIA), Ameren Illinois, Hexagon Purus, and the Low Carbon Resources Initiative (LCRI) completed a Phase I Conceptual Study under contract DE-FE0032012 for Hydrogen Storage for Flexible Fossil Fuel Power Generation: Integration of Underground Hydrogen Storage with Gas Turbine. The Hydrogen Storage for Flexible Fossil Fuel Power Generation platform addresses the intermittent nature of the expanding use of Variable Renewable Energy (VRE) generation. The low cost of the electricity (COE) generated results in greater dispatch and more operation at higher power levels (higher efficiency), fewer short intervals, and fewer start/stop cycles. The reliable, resilient system can produce zero carbon power and store hydrogen. It will demonstrate hydrogen storage in geologic formations like those used in natural gas underground storage thus enabling large scale storage of hydrogen in sedimentary strata across the United States rather than in geographically restricted salt caverns. The Phase I study confirmed the system is feasible and generates power at lower cost than other low carbon approaches. The demonstration defines the pathway for broad commercial application and will accelerate the development of larger systems suitable for centralized utility scale electricity production. The study advanced the maturity of the H 2 storage-based system with flexible power generation by completing a Pre-FEED study (Phase II). The Pre-FEED focused on the selected Energy Farm on the University of Illinois Urbana-Champaign (UIUC) site that includes above ground and underground hydrogen storage, low-carbon hydrogen production (GTI’s Compact Hydrogen Generator, CHG) with underground CO2 sequestration, and a 40-MW class gas turbine. The Pre-FEED addressed the entire system and its interconnection to the natural gas and electric grid and mitigation of key risks, such as storage behavior, load-following, and system operation. During Phase 1 of the project, the team completed key tasks, which moved the entire demonstration project, specific components and approaches closer to commercialization. These Phase I Accomplishments include: Completing System Requirements Review; Completing System Layout and Modeling - Heat & Mass Balance and Process Flow Diagram; Completing modelling of 9 turbine performance cases; Evaluating rock strata for underground storage of hydrogen and sequestration of carbon dioxide; Completing initial modelling of underground storage of hydrogen and withdrawal with evaluation of loss and water production; Identifying roadable storage for above ground hydrogen storage; Identifying existing electrical infrastructure for receiving/delivering electricity; Identifying existing gas supply infrastructure for receiving natural gas; Document concept design/development plans in required reports. Conclusions: The 12-month Feasibility study in Phase I study was completed and confirmed the system is feasible and generates power at lower cost than other low carbon approaches and even lower cost than the reference NGCC plant without carbon capture when taking advantage of 45Q carbon credits. The study enabled the fidelity of the concept to be improved and allowed identification of the requirements for the system. Defining the individual system and component requirements was performed via the system requirements review with the whole team. These requirements were then incorporated into and iterated with our Heat & Mass Balance process model and process flow diagrams were generated to reflect the overall system. This information was then used to complete the TEA and show economic feasibility. Large scale non-salt geologic storage of hydrogen is an enabling technology for a hydrogen-fired turbine that can be retrofitted into large-scale electric generating units (EGU). Our demonstration will include 428 MWh or ~4 hours full load of hydrogen storage (above and underground). Carbon capture inherent to the CHG process can capture 90% CO 2 (with upgrades to >98%). This system provides a COE of 23% savings relative to an NGCC with a post combustion amine system. Our proposed storage system decouples carbon capture and hydrogen production from power production; therefore, we expect our proposed system’s efficiency and variable COE to be superior resulting in overall higher dispatch and reduced deep cycling. Our demonstration will be full to multi-day hydrogen storage and has the potential for longer (seasonal) duration commercially. The demonstration defines the pathway for broad commercial application and will accelerate the development of larger systems suitable for centralized utility scale electricity production.

03 NATURAL GAS↗

DOE OSTI2021

Identifying geological structures through microseismic cluster and burst analyses complementing active seismic interpretation

At the Decatur carbon capture and storage site (IL, USA) CO 2 has been injected from 2011–2014 and from 2017 to present near the base of the Lower Mt. Simon Sandstone saline reservoir, resulting in microseismicity. Microseismicity is mainly located in the basement and distributed in distinct spatial clusters. The lack of significant impedance contrasts within the basement makes the interpretation of active-source seismic reflection data challenging, however, recent reprocessing allowed to resolve faults above and at the top of the basement. These faults generally do not coincide with the location of microseismic events and their continuation to the general depth of the seismic events cannot be assumed. This paper shows how the interpretation of the microseismicity can complement structural interpretations of active-source seismic reflection data. In particular, we analyze clusters and bursts (abrupt increases) of microseismicity, identify unresolved, smaller-scale weaknesses and extract statistical parameters. These parameters allow comparisons with the interpreted faults, and with fracture sets intercepted by boreholes. During injection at the Decatur site, the injection pressure was kept far below fracture pressure, nevertheless, seismic events were induced and spread far beyond the expected extent of the CO 2 plume. We argue that local stress transfers related to the CO 2 injection reactivated pre-existing fractures within the critically stressed basement. Finally, we conducted a slip tendency analysis for faults interpreted from active seismic, selected cluster, bursts and nodal planes from focal mechanisms to determine if the interpreted structures are optimally oriented with respect to the stress regime. Our results suggest that the orientation of fractures close to the injection well, generally shows slight deviations from the optimal orientation for slip. This might indicate either slight local deviations of the maximum horizontal stress azimuth from the average direction used in the analysis, or the lack of optimally oriented fractures at this location.

58 GEOSCIENCES↗

DOE OSTI2024

Polyamide-Based Ion Exchange Membranes: Cation-Selective Transport through Water Purification Membranes

Ion-selective membranes are necessary components of many electrochemical systems including fuel cells, electrolyzers, redox flow batteries, and electrodialyzers. Perfluorinated sulfonated membranes (PFSMs) dominate these applications due to their excellent combination of fast ion transport, stability, and processability. However, perfluorinated cation exchange membranes (CEMs) are expensive, and their production process involves chemistry that generates toxic perfluorinated chemicals. The development of affordable, nonfluorinated membranes with a competitive combination of high ion selectivity, transport, and stability could help enable the widespread use of the technologies listed above while hastening the development of emerging electrochemical systems, including aqueous alkaline CO 2 sorbent regeneration. To this end, we pursue the use of thin-film composite polyamide (PA-TFCs) membranes–those that typically find application in reverse osmosis and nanofiltration desalination–as cation-selective exchange membranes. Given their negative surface charge under neutral-to-alkaline conditions, PA-TFCs can serve as effective CEMs in these pH regimes. We prepared a series of PA-TFCs from traditional monomers (trimesoyl chloride and piperazine) and compared their thicknesses, charge densities, water transport properties, ion transport properties, and long-term stability in a high pH environment to traditional CEMs (Nafion and FKE) and commercial nanofiltration and reverse osmosis membranes. We find that some of the best-performing PA-TFC membranes have similar resistances and Na + transference numbers compared to Nafion 117 in Na 2 SO 4 and NaHCO 3 -containing solutions. This proof-of-principle study suggests that further optimization of PA-TFCs could enable cost-effective ion exchange membrane alternatives to PFSMs.

36 MATERIALS SCIENCE↗