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Distributions of Trace Gases and Aerosols during the Dry Biomass Burning Season in Southern Africa

Vertical profiles in the lower troposphere of temperature, relative humidity, sulfur dioxide (SO2), ozone (O3), condensation nuclei (CN), and carbon monoxide (CO), and horizontal distributions of twenty gaseous and particulate species, are presented for five regions of southern Africa during the dry biomass burning season of 2000. The regions are the semiarid savannas of northeast South Africa and northern Botswana, the savanna-forest mosaic of coastal Mozambique, the humid savanna of southern Zambia, and the desert of western Namibia. The highest average concentrations of carbon dioxide (CO2), CO, methane (CH4), O3, black particulate carbon, and total particulate carbon were in the Botswana and Zambia sectors (388 and 392 ppmv, 369 and 453 ppbv, 1753 and 1758 ppbv, 79 and 88 ppbv, 2.6 and 5.5 micrograms /cubic meter and 13.2 and 14.3 micrograms/cubic meter). This was due to intense biomass burning in Zambia and surrounding regions. The South Africa sector had the highest average concentrations of SO2, sulfate particles, and CN (5.1 ppbv, 8.3 micrograms/cubic meter, and per 6400 cubic meter , respectively), which derived from biomass burning and electric generation plants and mining operations within this sector. Air quality in the Mozambique sector was similar to the neighboring South Africa sector. Over the arid Namibia sector there were polluted layers aloft, in which average SO2, O3, and CO mixing ratios (1.2 ppbv, 76 ppbv, and 3 10 ppbv, respectively) were similar to those measured over the other more polluted sectors. This was due to transport of biomass smoke from regions of widespread savanna burning in southern Angola. Average concentrations over all sectors of CO2 (386 +/- 8 ppmv), CO (261 +/- 81 ppbv), SO2 (2.5 +/- 1.6 ppbv), O3 (64 +/- 13 ppbv), black particulate carbon (2.3 +/- 1.9 microgram/cubic meter), organic particulate carbon (6.2 +/- 5.2 microgram/cubic meter), total particle mass (26.0 +/- 4.7 microgram/cubic meter), and potassium particles (0.4 +- 0.1 microgram/cubic meter) were comparable to those in polluted, urban air. Since the majority of the measurements in this study were obtained in locations well removed from industrial sources of pollution, the high average concentrations of pollutants reflect the effects of widespread biomass burning. On occasions, relatively thin (-0.5 km) layers of remarkably clean air were located at -3 km above mean sea level, sandwiched between heavily polluted air. The data presented here can be used for inputs to and validation of regional and global atmospheric chemical models.

Sinha, Parikhit↗

Well Stimulation Treatment in California: Evaluation of Disclosure Data, May 2015 – October 2019

In this document, disclosure data from 1,228 well stimulations occurring May 2015 to October 2019 in California are evaluated. This evaluation updates a previous study that was based on 618 well stimulations occurring May 2015 to June 2016 (Stringfellow, W.T., Camarillo, M.K., and Jordan, P. 2017, Status of Well Stimulation in California Since Implementation of SB-4 Regulations, Berkeley National Laboratory, Berkeley, CA). While the goal of the previous study was to provide a summary of information obtained since passage of California Senate Bill No. 4—Oil and Gas, the goal of the current evaluation is to provide a basis for studying chemical indicators that could potentially be used to detect aquifer contamination. We evaluate chemical indicators is a separate document using the data contained herein as well as data from monitoring wells located within oil fields. Compared with the data used by Stringfellow et al. 2017, the current evaluation is based on a more diverse data set. While the previous study contained data for only two oil fields with more than 30 well stimulations, the current data set contains four oil fields with more than 30 well stimulations, making these data more ideal for comparisons using statistical tests. More producers and a new oil field, Buena Vista Nose, are represented in the current data set. Some well stimulation practices remain relatively unchanged since the previous study. Well stimulation is mostly occurring in Kern County with the exception of a single well stimulation in Orange County. Almost all well stimulations are hydraulic fracturing. The current data set contains two acid fracturing treatments and one matrix acidizing treatment. The median number of chemicals added per well stimulation—excluding water and proppant—was previously 21; the number in the expanded data set is 20. Median water added per well stimulation was previously 89,000 gallons and is now 98,000 gallons. While this water use represents a 10% increase, water use for hydraulic fracturing in California is still lower than water use in other oil and gas fields. Chemical formulations appear to have shifted since the previous study. This shift may be related to a change in the predominant service company. We identified 26 chemicals for which the frequency of use has changed by more than 30%. The total number of chemicals used has also expanded. Previously, 178 unique chemicals were identified as being added to well stimulation fluids. The total number of unique chemicals is now 205. Analytical data available for base and recovered fluids has expanded. The number of base fluid samples has increased from 12 to 35 and the number of recovered fluid samples has increased from 1,078 to 2,166. The expanded data set is more ideal for an evaluation of indicator chemicals and comparisons across different formations. The analytical data for recovered fluid samples indicates that many ions, radioactive constituents, and organics are consistently observed, making these chemicals ideal for consideration as potential indicators of aquifer contamination.

54 ENVIRONMENTAL SCIENCES↗

Time-lapse VSP integration and calibration of subsurface stress field utilizing machine learning approaches: A case study of the morrow B formation, FWU

This study aims to develop a methodology for calibrating subsurface stress changes through time-lapse vertical seismic profiling (VSP) integration. The selected study site is a region around the injector well located within Farnsworth field unit (FWU), where there is an ongoing CO 2 -enhanced oil recovery (EOR) operation. In our study, a site-specific rock physics model was created from extensive geological, geophysical, and geomechanical characterization through 3D seismic data, well logs, and core assessed as part of the 1D MEM conducted on the characterization well within the study area. Here, the Biot-Gassmann workflow was utilized to combine the rock physics and reservoir simulation outputs to determine the seismic velocity change due to fluid substitution. Modeled seismic velocities attributed to mean effective stress were determined from the geomechanical simulation outputs, and the stress-velocity relationship developed from ultrasonic seismic velocity measurements. A machine learning-assisted workflow comprised of an artificial neural network and a particle swarm optimizer (PSO) was utilized to minimize a penalty function created between the modeled seismic velocities and the observed time-lapse VSP dataset. The successful execution of this workflow has affirmed the suitability of acoustic time-lapse measurements for 4D-VSP geomechanical stress calibration pending measurable stress sensitivities within the anticipated effective stress changes and the availability of suitable and reliable datasets for petroelastic modeling. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.

58 GEOSCIENCES↗

Effect of Computational Schemes on Coupled Flow and Geo-Mechanical Modeling of CO 2 Leakage through a Compromised Well

Carbon capture, utilization, and storage (CCUS) describes a set of technically viable processes to separate carbon dioxide (CO 2 ) from industrial byproduct streams and inject it into deep geologic formations for long-term storage. Legacy wells located within the spatial domain of new injection and production activities represent potential pathways for fluids (i.e., CO 2 and aqueous phase) to leak through compromised components (e.g., through fractures or micro-annulus pathways). The finite element (FE) method is a well-established numerical approach to simulate the coupling between multi-phase fluid flow and solid phase deformation interactions that occur in a compromised well system. We assumed the spatial domain consists of a three-phases system: a solid, liquid, and gas phase. For flow in the two fluids phases, we considered two sets of primary variables: the first considering capillary pressure and gas pressure (PP) scheme, and the second considering liquid pressure and gas saturation (PS) scheme. Fluid phases were coupled with the solid phase using the full coupling (i.e., monolithic coupling) and iterative coupling (i.e., sequential coupling) approaches. The challenge of achieving numerical stability in the coupled formulation in heterogeneous media was addressed using the mass lumping and the upwinding techniques. Numerical results were compared with three benchmark problems to assess the performance of coupled FE solutions: 1D Terzaghi’s consolidation, Liakopoulos experiments, and the Kueper and Frind experiments. We found good agreement between our results and the three benchmark problems. For the Kueper and Frind test, the PP scheme successfully captured the observed experimental response of the non-aqueous phase infiltration, in contrast to the PS scheme. These exercises demonstrate the importance of fluid phase primary variable selection for heterogeneous porous media. We then applied the developed model to the hypothetical case of leakage along a compromised well representing a heterogeneous media. Considering the mass lumping and the upwinding techniques, both the monotonic and the sequential coupling provided identical results, but mass lumping was needed to avoid numerical instabilities in the sequential coupling. Additionally, in the monolithic coupling, the magnitude of primary variables in the coupled solution without mass lumping and the upwinding is higher, which is essential for the risk-based analyses.

deformation flow↗

North Dakota Integrated Carbon Storage Complex Feasibility Study. Final report

In spring 2017, the Energy & Environmental Research Center (EERC) initiated an effort to determine the feasibility of developing a commercial-scale CO 2 geologic storage complex able to store 50+ million tonnes (Mt) of CO 2 in central North Dakota safely, permanently, and economically. The objective was to fulfill the goals of the U.S. Department of Energy (DOE) Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Initiative and address technical and nontechnical challenges specific to commercial-scale deployment of a CO2 storage project. The findings clearly show that the concept of capturing CO 2 from a lignite-fired electrical generation facility in central North Dakota and safely and permanently storing the CO 2 in the deep subsurface is indeed technically, economically, and socially feasible. This project evaluated two study areas and their respective geologic storage complexes located adjacent to separate coal-fired facilities in North Dakota: the Basin Electric Power Cooperative (BEPC)-owned Great Plains Synfuels Plant (GPSP) and the Minnkota Power Cooperative (Minnkota)-owned Milton R. Young Station (MRYS). These locations, one with CO 2 capture in place and an existing CO 2 pipeline, are bolstered by progressive North Dakota pore space ownership and long-term liability laws. These elements and a motivated team created an ideal synergistic scenario for ensuring success of the CarbonSAFE Initiative and promoting North Dakota’s statewide vision for carbon management. The project included drilling two new geologic characterization wells, integrating an existing 3-D seismic survey, creating a geologic model subsequently used for injection simulation, a risk assessment, public outreach, and generating a site development plan based on results. In addition, the performance of select National Risk Assessment Partnership tools was evaluated. The geologic characterization wells were drilled ~5600 feet deep to the Broom Creek Formation; ~350 feet of core was retrieved from each well. The core included the Broom Creek (targeted injection zone) and a portion of the overlying Opeche Shale (seal). The Flemmer-1 well, west of Beulah, North Dakota, yielded 169 feet of sandstone. The BNI-1 well located south of Center, North Dakota, yielded 124 feet of sandstone. In each case, laboratory analysis of the sandstone showed permeability in the 300–1000-mD range, with porosity of 20%–30%. The Flemmer-1 well was sited within the boundaries of an existing 3-D seismic survey. Colocating the well with the seismic survey maximized the relationship between new and legacy data and developed a first-of-its-kind interpretation of the geologic fabric of the Broom Creek. Geologic characterization data were integrated into a 5544-mi 2 geocellular model that encompassed both new wells and stratigraphy from the surface to the Amsden Formation (underlying the Broom Creek). The model was later expanded vertically to include the deeper Black Island–Deadwood interval to examine its potential viability as a storage target. The geocellular model provided the foundation for dynamic simulation of CO 2 into the Broom Creek. Results of the simulation suggest that the Broom Creek could accept the DOE target rate of 2 Mt/yr of CO 2 into as few as two wells. To bracket the expected capture from MRYS, simulations were also investigated for a 4-Mt/yr rate near MRYS. Although more wells are needed (two additional), the Broom Creek still has the storage resource to accept the CO 2 at the increased rate. A risk assessment exercise was conducted to identify and assess technical and nontechnical risks that could prevent potential candidate storage complexes within the study area from serving as commercial storage sites. The assessment identified and evaluated six technical risk categories: 1) CO 2 injectivity, 2) storage capacity, 3) lateral migration of CO 2 , 4) lateral pressure propagation, 5) vertical migration of CO 2 or formation brine, and 6) induced seismicity. Following two rounds of analysis and scoring, no risks were determined to preclude continued efforts to develop carbon capture, utilization, and storage (CCUS) in central North Dakota. The risk assessment results will be used to guide future site characterization, modeling and simulation, and monitoring activities. A specific nontechnical strategic risk based on challenges that may be realized in amalgamation of pore space resulted in vertically expanding the geologic model to incorporate the potential for stacked storage in multiple saline reservoirs. By including the Black Island–Deadwood interval (the basal sedimentary reservoir in this region), the amalgamated areal extent could be reduced by as much as 45%. Working with a smaller geographic area reduces risks and costs associated with monitoring and pore space leasing. An economic evaluation incorporating capture; transport (<5 mi); Class VI wells; permitting; and monitoring, verification, and accounting suggests implementing commercial-scale CCUS is economically attractive if the federal tax benefits of 45Q are included. This is validated by Minnkota’s continued pursuit of CO 2 capture and geologic storage at MRYS through its Project Tundra initiative, indicating that there is a business case for CCUS in central North Dakota. Currently, North Dakota is the only state with underground injection control (UIC) Class VI primacy. Built into the North Dakota Century Code is a series of regulatory requirements that guide the process to obtain a Class VI CO 2 storage facility permit. As part of this project, a site development plan was compiled to assure compliance with North Dakota’s requirements to permit a commercial-scale CO 2 storage operation and includes a prospective time line encompassing a general breakdown of activities. In total, an estimated 30 months would be needed to execute the necessary steps to attain a North Dakota CO 2 storage facility permit. Outreach was an integral part of the project and encompassed any project-related activity that had contact or exposure beyond the project team. The goals of outreach were to foster an environment from which stakeholders could make informed decisions about the project and gauge community receptiveness to a CCUS project. A consistent set of messages and outreach products were developed in conjunction with an outreach advisory board that integrated project partners and team members. To gauge public acceptability of geologically storing CO 2 , 5611 households in the project area were invited to participate in an online survey. The survey results indicate that the public attitude regarding CCUS is neutral to positive, with strong sentiment that CO 2 capture and storage may be an approach to maintain the economic vitality of the region. To achieve project objectives, critical support in the form of financial backing, engineering evaluations, site access, outreach collaboration, operations data, risk assessment/evaluation, and software access was provided by BEPC, the North Dakota Industrial Commission Lignite Research Council, ALLETE Clean Energy, BNI Energy, North American Coal Corporation, Minnkota, Prairie Public Broadcasting, Computer Modelling Group Ltd., and Schlumberger.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Space Transformation -- Localizing the Remote and Connecting the Isolated

In motivating the Space Transformation theme for this year’s 4S symposium, the organizers provided the following context, “Transformation of economies are driven by a change in values and accelerated by new technologies.” These words rang particularly true when I read them at the beginning of the holiday season. Like so many others, I was in the early phases of my Christmas shopping procrastination campaign, and I’d just been reflecting on how Amazon Prime was the transformational tool I’d been waiting for. Basic limiting principles of time and space, supply and demand, were all but erased by the Amazon Prime phenomenon. Coupled with emerging 3D printing and other adaptive manufacturing technologies, a transformation from deliberate planning to “think it … have it” had occurred, empowering me to procrastinate longer than I’d ever dreamed possible. The organizers went on to ponder, “Will space transformation also affect society?”, just as our team at the Air Force Research Lab’s (AFRL) Center for Rapid Innovation (CRI) were working alongside partners within our larger Integrated Capabilities Directorate, NASA’s Flight Opportunities and Small Spacecraft Technology programs, and DARPA’s Luna-10 program to develop technologies and execute demonstration missions that leverage the space domain to genuinely connect even the most remote and austere domains on the timeline of need. Picking apart the miracle that is Amazon prime, where does the model fail, and why? More relevantly to the theme of this year’s symposium, how can the space domain be used to overcome its limitations and minimize its weaknesses? Perhaps it is best assessed in the context of Use Cases. What are the Amazon delivery cost, schedule, and cargo limiters to the Amundsen-Scott South Pole Research Station, or the Lunar South Pole Research Station? This paper will explore enabling infrastructure that allows Amazon prime to thrive and assess the transformational enabling technologies that would be necessary to extend that miracle to the truly remote or the truly austere. Localizing the Remote • First, it will evaluate the ability of the on-going AFRL Rocket Cargo and Space Initiatives Ringside Seats systems, coupled with Astrobotic’s Xodiak and Xogdor capabilities, developed to support the NASA Flight Opportunities Program (FOP), to supply orbital/suborbital delivery to both improved and austere sites on the Earth and Moon. • Then, it will add the surface terminal distribution leg, with an examination of Lunar Outpost’s Mobile Autonomous Prospecting Platform (MAPP), equipped with Mobile Autonomous Robotic Swarm (MARS) software, and Intuitive Machine’s Hopper, developed with support of AFRL and NASA’s Commercial Lunar Payload Services (CLPS) program. Connecting the Isolated From there, it will focus on the destination, asking what implied destination services are required to support highly assured autonomous delivery. • Specifically, it will highlight Astrobotic’s Skymage mesh-networked publish and subscribe communication and navigation service, as well as AFRL’s on-going developments of radioisotope and reactor nuclear-sourced thermoelectric power generation and distribution systems under development under the Joint Emergent Technology Supplying On-orbit Nuclear Power (JETSON) program by Lockheed Martin, Westinghouse, Intuitive Machines, and Zeno Power, to provide the power service to locations well off the grid. • Finally, the paper will connect to the “human machine”. What connects the remote or in-situ human consumer to the remote domain? What connects the diverse international government and commercial services to each other? The former will focus on AFRL’s OraCloud feeding their Space Defense Control and Characterization System (SDCCS) and Lunar Station’s MoonHacker systems, while the latter will focus on the BlueHalo/Tensor LunX Technology Platform for the Cislunar Commodity Marketplace. In 1984, Krafft Ehricke famously remarked that, “If God wanted man to become a spacefaring species, He would have given man a Moon.” This paper is not about the Moon, but is about humans as a spacefaring species, shedding the pesky land/air limitations of the Amazon Prime model … so that we can all live a procrastinator’s “think it … have it” existence.

Charles Finley↗

Kimberlina 1.2 CCUS Geophysical Models and Synthetic Data Sets

This synthetic multi-scale and multi-physics data set was produced in collaboration with teams at the Lawrence Berkeley National Laboratory, National Energy Technology Laboratory, Los Alamos National Laboratory, and Colorado School of Mines through the Science-informed Machine Learning for Accelerating Real-Time Decisions in Subsurface Applications (SMART) Initiative. Data are associated with the following publication: Alumbaugh, D., Gasperikova, E., Crandall, D., Commer, M., Feng, S., Harbert, W., Li, Y., Lin, Y., and Samarasinghe, S., “The Kimberlina Synthetic Geophysical Model and Data Set for CO2 Monitoring Investigations”, The Geoscience Data Journal, 2023, DOI: 10.1002/gdj3.191. The dataset uses the Kimberlina 1.2 CO2 reservoir flow model simulations based on a hypothetical CO2 storage site in California (Birkholzer et al., 2011; Wainwright et al., 2013). Geophysical properties models (P- and S-wave seismic velocities, saturated density, and electrical resistivity) were produced with an approach similar to that of Yang et al. (2019) and Gasperikova et al. (2022) for 100 Kimberlina 1.2 reservoir models. Links to individual resources are provided below: [CO2 Saturation Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-co2-saturation-models); Resistivity Models – [part 1](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-1), [part 2](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-2), and [part 3](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-resistivity-models-part-3); [Vp Velocity Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-vp-velocity-models); [Vs Velocity Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-vs-velocity-models); [Density Models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-density-models). The 3D distributions of geophysical properties for the 33 time stamps of the SIM001 model were used to generate synthetic seismic, gravity, and electromagnetic (EM) responses for 33 times between zero and 200 years. Synthetic surface seismic data were generated using 2D and 3D finite-difference codes that simulate the acoustic wave equation (Moczo et al., 2007). 2D data were simulated for six point-pressure sources along a 2D line with 10 m receiver spacing and a time spacing of 0.0005 s. 3D simulations were completed for 25 surface pressure sources using a source separation of 1 km in both the x and y directions and a time spacing of 0.001 s. Links to individual resources are provided below: [2D velocity models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-2d-velocity-models) and [2D surface seismic data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-2d-surface-seismic-data). [3D velocity models](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-velocity-models), and 3D seismic data [year0](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year0), [year1](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year1), [year2](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year2), [year5](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year5), [year10](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year10), [year15](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year15), [year20](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year20), [year25](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year25), [year30](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year30), [year35](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year35), [year40](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year40), [year45](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year45), [year49](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year49), [year50](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year50), [year51](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year51), [year52](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year52), [year55](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year55), [year60](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year60), [year65](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year65), [year70](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year70), [year75](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year75), [year80](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year80), [year85](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year85), [year90](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year90), [year95](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year95), [year100](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year100), [year110](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year110), [year120](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year120), [year130](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year130), [year140](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year140), [year150](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year150), [year175](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year175), [year200](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-seismic-data-year200). The Python scripts to read these models and data are provided [here](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-python-scripts). EM simulations used a borehole-to-surface survey configuration, with the source located near the reservoir level and receivers on the surface using the code developed by Commer and Newman (2008). Pseudo-2D data for the source at [2500 m](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-pseudo-2d-csem-data-tz2500m) and [3025 m](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-pseudo-2d-csem-data-tz3025m), used a 2D inline receiver configuration to simulate a response over 3D resistivity models. The [3D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-3d-csem-data) contain electric fields generated by borehole sources at monitoring well locations and measured over a surface receiver grid. Vector gravity data, both on the surface and in boreholes, were simulated using a modeling code developed by Rim and Li (2015). The simulation scenarios were parallel to those used for the EM: [pseudo-2D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-gravity-data) were calculated along the same lines and within the same boreholes, and [3D data](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-gravity-data) were simulated over 3D models on the surface and in three monitoring wells. A series of [synthetic well logs](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-well-logs) of CO2 saturation, acoustic velocity, density, and induction resistivity in the injection well and three monitoring wells are also provided at 0, 1, 2, 5, 10, 15, and 20 years after the initiation of injection. These were constructed by combining the low-frequency trend of the geophysical models with the high-frequency variations of actual well logs collected in the Kimberlina 1 well that was drilled at the proposed site. Measurements of permeability and pore connectivity were made on cores of Vedder Sandstone, which forms the primary reservoir unit: [CT micro scans](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-ct-micro-scans-of-vedder-formation) and [Industrial CT Images](https://edx.netl.doe.gov/dataset/kimberlina-1-2-ccus-geophysical-models-and-synthetic-data-sets-industrial-ct-images-vedder-formation). These measurements provide the range of scales in the otherwise synthetic data set to be as close to a real-world situation as possible. References: Birkholzer, J.T., Zhou, Q., Cortis, A. and Finsterle, S., 2011. A sensitivity study on regional pressure buildup from large-scale CO2 storage projects. Energy Procedia, 4, 4371-4378. Commer, M., and Newman, G.A., 2008. New advances in three-dimensional controlled-source electromagnetic inversion, Geophysical Journal International, 172, 513-535. Gasperikova, E., Appriou, D., Bonneville, A., Feng, Z., Huang, L., Gao, K., Yang, X., Daley, T., 2022, Sensitivity of geophysical techniques for monitoring secondary CO2 storage plumes, Int. J. Greenh. Gas Control, Volume 114, 103585, ISSN 1750-5836, https://doi.org/10.1016/j.ijggc.2022.103585. Moczo, P., J.O. Robertsson and L. Eisner, 2007, The finite-difference time-domain method for modeling of seismic wave propagation: Advances in geophysics, 48, 421-516. Rim, H., and Y. Li, 2015, Advantages of borehole vector gravity in density imaging, Geophysics, 80, G1-G13. Wainwright, H. M.; Finsterle, S.; Zhou, Q.; Birkholzer, J. T., 2013. Modeling the Performance of Large-Scale CO2 Storage Systems: A Comparison of Different Sensitivity Analysis Methods. International Journal of Greenhouse Gas Control, 17, 189205. https://doi.org/10.1016/j.ijggc.2013.05.007, DOI: 10.18141/1603331. Yang, X., Buscheck, T.A., Mansoor, K., Wang, Z., Gao, K., Huang, L., Appriou, D., and Carroll, S.A., 2019. Assessment of geophysical monitoring methods for detection of brine and CO2 leakage in drinking water aquifers, International Journal of Greenhouse Gas Control, 90, 102803, https://doi.org/10.1016/j.ijggc.2019.102803.

CCUS↗

Petrology of Impact-Melt Rocks at the Chicxulub Multiring Basin, Yucatan, Mexico

Compositions and textures of melt rocks from the upper part of the Chicxulub structure are typical of melt rocks at other large terrestrial impact structures. Apart from variably elevated iridium concentrations (less than 1.5 to 13.5 +/- 0.9 ppb) indicating nonuniform dissemination of a meteoritic component, bulk rock and phenocryst compositions imply that these melt rocks were derived exclusively from continental crust and platform-sediment target lithologies. Modest differences in bulk chemistry among samples from wells located approximately 40 km apart suggest minor variations in relative contributions of these target lithologies to the melts. Subtle variations in the compositions of early-formed pyroxene and plagioclase also support minor primary differences in chemistry between the melts. Evidence for pervasive hydrothermal alteration of the porous mesostasis includes albite, K-feldspar, quartz, epidote, chlorite, and other phyllosilicates, as well as siderophile element-enriched sulfides, suggesting the possibility that Chicxulub, like Sudbury, may host important ore deposits.

Schuraytz, Benjamin C.↗

Utah FORGE: Phase 3 Ground Water Level Monitoring Data

Groundwater data around the Utah FORGE site has been collected to determine the piezometric levels and compositional variability. Field measurements in 2020 are designed to obtain and survey new groundwater wells that have been drilled on the distal periphery of the Utah FORGE project area. The spreadsheet included in this submission contains ground water level data from the Utah FORGE site as monitored from wells WOW-2 and WOW-3. The well locations are also provided as UTM, Zone 12, NAD83 coordinates.

15 GEOTHERMAL ENERGY↗

Factors controlling pore network development of thermally mature Early Palaeozoic mudstones from the Baltic Basin (N Poland)

Understanding the formation of pore space, especially in low porosity shales (as source rocks and as unconventional resources), is critical to the oil and gas industry, since pores control the space available for hydrocarbon and participate in hydrocarbon transport. We examined 87 Ordovician and Silurian mudstone samples collected from four wells located in the Pomeranian part of the Baltic Basin (northern Poland), one of the primary Polish targets for hydrocarbon exploration. These samples represent the Pelplin, the Paslek, the Jantar, the Prabuty, and the Sasino Formations, which still requires more detailed porosity studies. Our study aimed to identify factors controlling porosity development, by applying bulk techniques (organic petrology and TOC analyses, quantitative mineralogy, and porosimetry) as well as nano- to microscale techniques (thin section petrography, electron microscopy). The studied samples are mainly argillaceous mudstones. The results of porosimetry measurements, combined with image analysis, indicate that the pores of all studied rocks are dominated by micropores (pores < 2 nm in diameter), mesopores (2-50 nm in diameter) and small macropores. The SEM images showed three main pore types: a) voids related to clay mineral aggregates, b) pores inside organic matter particles, and c) pores between other mineral grains. In the Jantar and Sasino mudstones, the organic matter content and its thermal maturity control porosity. The occurrence of solid bitumen in the rocks from these formations reduces samples’ mesoporosity because of the pore-clogging effect. In contrast, in the Paslek and Prabuty Formations, there is low organic matter content and specific surface area and the volume of mesopores increase with clay minerals content. In the Pelplin mudstones, there are no prevailing factors controlling porosity. As a result, we suggest that a combination of SEM image analysis and dual liquid porosity (DLP) measurements is a powerful method to assess porosity available for petroleum flow in mudstones.

03 NATURAL GAS↗

Biogeochemistry of the Antrim Shale Natural Gas Reservoir

The Antrim Shale, located in the Michigan Basin, United States (U.S.), is a major U.S. shale play having produced over 2.5 Trillion Cubic Feet (Tcf) of unconventional shale natural gas as of 2010. The shallow nature of this formation sets it apart from other, more characterized unconventional shale gas plays. The depth of gas production of the Antrim ranges from approximately 150 to 600 m and it is typically vertically drilled, contrary to deeper, horizontally drilled shales. A thorough understanding of the biogeochemistry and microbiology of this complex system will be advantageous for improving well performance, produced water management, and potential biocidal treatment as microbial community composition can vary substantially even among closely spaced wells. In this study, we analyzed produced water collected from nine different wells in the Antrim Shale by investigating the geochemical and microbial community composition of the produced water to gain greater insight into the overall biogeochemistry of this unique shale system. The majority of the wells from this study had high total dissolved solids (TDS) primarily composed of chloride and sodium, averaging 86,804 mg/L with a maximum 116,223 mg/L; however, three of the wells sampled along the northern margin of the basin exhibited significantly lower TDS ranging from 4932 to 6496 mg/L. Overall, our microbial community analysis revealed relatively low abundance within our samples and high variability of the microbial community among the sampled wells. The majority of bacterial sequences were identified within Proteobacteria, Firmicutes, and Actinobacteria phyla and metagenomic sequencing revealed the low presence of Methanobacteriaceae within each sample. We also investigated potential microbial community drivers and found that TDS, sodium, chloride, iodide, bromide, ammonium, potassium, and strontium were significantly correlated with the observed microbial community. The varying geochemical conditions between wells demonstrate different subsurface environmental niches, potentially driving the heterogeneous microbial communities we observed from well to well. This analysis suggests an important relationship between both well location and geochemistry and the observed microbial community that can persist in the reservoir. Continued studies of the Antrim Shale will improve our understanding of the complex interdependencies of this ecosystem.

03 NATURAL GAS↗

Actions to Evaluate Tritium in ATR Complex Perched Water Well 12

On April 23, 2019, elevated tritium concentrations in monitoring well PW-12 were reported to the Advanced Test Reactor (ATR) Complex environmental manager by the Fluor Idaho Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) lead. The monitoring well is one of a series of wells located in and around the ATR Complex that are sampled on an annual basis as part of the CERCLA monitoring program. The Fluor Idaho CERCLA lead indicated the elevated concentrations had been trending upward from Fiscal Year (FY) 2017 through FY 2019. The tritium levels went from 1,880 pCi/L in October 2016 to 7,890 pCi/L in October 2017 and increased to 13,000 pCi/L in October 2018. In order to identify a baseline, the safe drinking water level (e.g. 20,000 pCi/L) can be used as a reference point for comparison only, as PW-12 is a perched water well and does not penetrate the aquifer. Although well below safe drinking water levels, an investigation was initiated to identify the source of tritium.

99 GENERAL AND MISCELLANEOUS↗

2D reactive transport model of shale chemical weathering and biogeochemical fluxes along a mountainous hillslope, East River Watershed, Colorado: Input files and simulation results

This data package contains input files and simulation results for a two-dimensional (2D) reactive transport model used to quantitatively analyze the coupled hydrological and biogeochemical processes governing shale weathering and associated biogeochemical fluxes under realistic environmental conditions in the high-elevation East River Watershed. These data support the conclusions presented in Stolze et al. (Water Resources Research, under review), "Model-based interpretation of solute exports and carbon partitioning during shale weathering in a mountainous hillslope". The model simulates atmospheric-subsurface gas exchange, subsurface water flow, and shale weathering processes under dynamic, year-scale conditions along a shale-underlain hillslope located in the East River watershed. The simulations were performed using the PFLOTRAN flow and reactive transport code and executed on the Perlmutter supercomputer to leverage its large-scale parallel computing capabilities. The data package contains two zipped folders, "model_input_files" and "simulation_results", and one readme.txt file. "model_input_files" contains the necessary input files to run the calibrated base-base model presented in Stolze et al. (Water Resources Research, under review). "simulation_results" contains a single hdf5 file ("Output_2D_hillslope_model.h5") which includes the results of simulation performed using the base-case model. This file can be opened with HDFView 3.1.4, Python, or MATLAB. "readme.txt" contains relevant information about the base-case model and provides guidelines on how to run the associated input files provided in the folder "model_input_files". Furthermore, readme.txt provides information regarding the model results provided in "Output_2D_hillslope_model.h5" such as matrix dimensionality and output units. Field datasets used to evaluate model performance were collected at three monitoring wells located along a hillslope transect (PLM1, PLM2, and PLM3). Dissolved ion concentration data were collected from November 2016 to October 2021 for Ca, Mg, DIC, Na, K, SO4 (Dong et al., 2025 - dic_npoc_data_2014_2024.zip - DOI:10.15485/1660459; Williams et al., 2025 - anion_data_2014_2024.zip - DOI:10.15485/1668054; Dong et al., 2025 - cation_data_2014_2024.zip - DOI:10.15485/1668055). Note that we used the files named er_PLM1_xx_yy, er_PLM2_xx_yy, and er_PLM3_xx_yy where xx stands for the name of the aqueous species and yy stands for the depth where the measurements were performed. Soil water content ([0 - 1] m) and water table depth were collected from November 2016 to October 2021 (Wan et al., 2024 - Dynamic_water_table__depthsFig2b.csv and Soil_water_content_Fig4e.csv - DOI:10.15485/2322567). Gaseous CO2 concentration were collected from October 2020 to December 2021(Wan et al., 2024 - Soil_CO2_concentrations_Fig4h.csv - DOI:10.15485/2322567) Gaseous CO2 flux from the subsurface to the atmosphere were collected in the vicinity of PLM2 from October 2019 to May 2022 (Wu et al., 2025). Soil microbial biomass concentration was measured from August 2016 to June 2017 (Sorensen et al., 2019 - 2017_East_River_Pumphouse_Microbial_Biomass__1_.csv - DOI:10.15485/1577267) All field data are published as CSV files compatible with Microsoft Excel, MATLAB, and Python, or as text files. The coordinates of the monitoring wells and the CO2(g) flux sensor in the coordinate system WGS84 are: -PLM1: [38.9197710 ; -106.9492750] -PLM2: [38.9201580 ; -106.9487170] -PLM3: [38.9207843 ; -106.9483668] -PLM4: 38.9210060 ; -106.9479528] -CO2(g) flux sensor: [38.9199180 ; -106.9489906] ------------------------------------------------------------------------------------------- This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. This research used resources of the National Energy Research Scientific Computing Center (NERSC), a Department of Energy User Facility using NERSC award BER-ERCAP 23980, BER-ERCAP 28550, and BER-ERCAP 33789.

54 ENVIRONMENTAL SCIENCES↗

Near-field probing of strong light-matter coupling in single IR antennae

Quantum well intersubband polaritons are traditionally studied in large scale ensembles, over many wavelengths in size.In this presentation, we demonstrate that it is possible to detect and investigate intersubband polaritons in a single sub-wavelength nanoantenna in the IR frequency range. We observe polariton formation using a scattering-type near-fieldmicroscope and nano-FTIR spectroscopy. In this work, we will discuss near-field spectroscopic signatures of plasmonic antennae withand without coupling to the intersubband transition in quantum wells located underneath the antenna. Evanescent fieldamplitude spectra recorded on the antenna surface show a mode anti-crossing behavior in the strong coupling case. Wealso observe a corresponding strong-coupling signature in the phase of the detected field. We anticipate that this near-fieldapproach will enable explorations of strong and ultrastrong light-matter coupling in the single nanoantenna regime,including investigations of the elusive effect of ISB polariton condensation.

36 MATERIALS SCIENCE↗

Modeling supercritical CO2 injection induced rupture of a minor fault embedded in a poroelastic layered reservoir-caprock system

CO2 injection for geologic carbon sequestration involves hydromechanical processes that lead to changes in fluid pressure and stresses that can activate existing faults. This paper presents a new method and workflow of modeling fault activation considering more complex three-dimensional geometry of natural faults using the TOUGH-FLAC multiphase fluid flow and geomechanical simulator. In this method and workflow, FLAC3D mechanical interfaces and TOUGH3 finite volume elements are discretized using computer aided design and gridding software along with a tailored mesh translation routine. The method and workflow are demonstrated with a model of a curved minor fault embedded in a poro-elastic layered reservoir-caprock system. The model is used for a comprehensive sensitivity analysis of fault responses to fault length, injection mass rate, injection schedule, well-fault distance, and well locations versus fault location. Four metrics (CO2 plume, shear state of fault, pressure and stress path at fault monitoring points) are selected to assess CO2 migration, pressure change, and the reactivation of faults. The results reveal that CO2 can bypass around the tip of the minor impermeable fault, building up pressure and poro-elastic stress on both sides that tends to impede fault rupture. Our study shows the benefit of carefully designing the injection to achieve the targeted final storage volume, starting at a relatively low rate for considerable time, and then ramping up the injection rate to the full rate of injection. The initial low injection has two distinct benefits: (1) it allows for the formation of an extensive CO2 plume with a much higher mobility through a low viscosity that will result in a lower pressure for a given injection rate, and (2) it allows for gradual build-up of horizontal poro-elastic stress within the reservoir that will tend to impede activation of steeply dipping faults. The injection scenario starting at a low injection rate, denoted here as conservative injection, can significantly reduce the risk of fault activation as high fluid mobility and reservoir strengthening poro-elastic stress has been established long before reaching the peak injection rates. Moreover, simultaneous injection in two injection wells on both sides of fault can provide further reservoir strengthening through poro-elastic stress buildup acting on a fault under normal faulting stress regime. The findings presented in the paper can provide practical and effective guidance on long-term, safe, and reliable geological CO2 storage.

Cao, Meng↗

Procedure for locating oil and gas wells in the Appalachian Basin

Locating undocumented (or poorly documented) oil and gas wells for environmental assessment is often difficult. Remnant features that confirm the presence of a well (intact casing/wellhead, well bore, etc.) are typically less than a meter in size and often are obscured from direct observation on the ground or from the air (by dense vegetation, for example). To efficiently find such features, it is useful to first systematically compile publicly available digital data at progressively smaller scales prior to embarking on field campaigns. Further, the information presented here describes the procedure developed and used by the U.S. Department of Energy's National Energy Technology Laboratory to locate potential oil and gas well sites for follow-up field verification and characterization. Digital data are first compiled from national and state resources such as well location/production databases, historical topographic maps, historical aerial photographs, and LiDAR data. Although each data set is likely to be incomplete or inaccurate to some extent, combining the data resources using geographic information system technology can generate potential well site targets with a higher degree of confidence, which improves the efficiency of fieldwork activities. This workflow was developed in the Appalachian Basin region, and although certain aspects may be unique, the general process would be applicable to locating undocumented wells in other regions.

54 ENVIRONMENTAL SCIENCES↗

Colliding localized, lumpy holographic shocks with a granular nuclear structure

We apply a recent and simple technique which speeds up the calculation of localized collisions in holography to study more realistic models of the pre-hydrodynamic phase of heavy ion collisions using gauge/gravity duality. Our initial data reflects the lumpy nuclear structure of real heavy ions and our projectiles’ aspect ratio mimics the Lorentz contraction of nuclei during RHIC collisions. At the hydrodynamization time of the central region of the quark gluon plasma developed during the collision, we find that most of the system’s vorticity is located well outside the hydrodynamized part of the plasma. Only the relativistic corrections to the thermal vorticity within the hydrodynamized region are non-negligible. We compare the transverse flow shortly after the collision with previous results which did not use granular initial conditions and determine the proper energy density and fluid velocity in the hydrodynamized subregion of the plasma.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Assessing Impacts on Pressure Stabilization and Leasing Acreage for CO 2 Storage Utilizing Oil Migration Concepts

Favorable geological storage for CO 2 has long been pictured as large anticlines with thick sandstones, similar to oil reservoirs in the petroleum system. Unlike oil, however, stored CO 2 does not need to be recoverable, which raises the possibility of using dissolution and residual trapping to augment the capacity of buoyant traps and tap more of the bulk rock volume. The work presented builds on that idea, asking the following question: If we inject CO 2 down to a syncline – analogous to the carrier bed in the petroleum system – how would this injection mechanism impact storage capacity and plume shape, migration, and stabilization? To address this question, we built a reservoir model, based on seismic interpretation of Middle Miocene strata, offshore Galveston, Texas. 3-D seismic and well logs were used to characterize key intervals. Reservoirs chosen for modeling are progradational-aggradational sands with mud intercalation. They have a higher degree of heterogeneity than the more conventional reservoirs commonly targeted for CO 2 storage. Modeling investigated how far the CO 2 plume would migrate under two scenarios: (1) injecting CO 2 at the base of the salt withdrawal basin (syncline scenario) and (2) injecting CO 2 at the base of the structural closure, similar to a common injection well location for EOR purposes (base scenario). For each scenario, we separately simulated injection of 30 MT of CO 2 and 60 MT of CO 2 continuously for 30 years and observe the plume and pressure evolution for 100 years after the injection stops. The simulation shows that injecting the CO 2 into a syncline limits the vertical migration of CO 2 , thus making synclinal injection more secure. In the syncline scenario, the geological layer around the injection point is more heterogeneous than the layer in the base scenario; thus, the CO 2 tends to migrate laterally. Additionally, in the syncline scenario, the plume does not even reach the upper part of the anticline, allowing us to safely store an additional amount of CO 2 into the reservoir. Furthermore, the simulation also shows that in the syncline scenario, the times needed for the reservoir to reach its stabilized pressure after the end of injections are faster. To summarize, CO 2 injection at the base of a syncline could provide additional storage, increase the safety of the project from the limited vertical plume migration, and expedite plume stabilization, which could result in the decrease of monitoring frequency as the project runs, thus lowering the operating cost of the project in the long run.

58 GEOSCIENCES↗