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DOE OSTI2017

Django Remote Submission

The Django Remote Submission (DRS) is a Django (Django, n.d.) application to manage long running job submission, including starting the job, saving logs, and storing results. It is an independent project available as a standalone pypi package (PyPi, n.d.). It can be easily integrated in any Django project. The source code is freely available as a GitHub repository (django-remote-submission, n.d.). To run the jobs in background, DRS takes advantage of Celery (Celery, n.d.), a powerful asynchronous job queue used for running tasks in the background, and the Redis Server (Redis, n.d.), an in-memory data structure store. Celery uses brokers to pass messages between a Django Project and the Celery workers. Redis is the message broker of DRS. In addition DRS provides real time monitoring of the progress of Jobs and associated logs. Through the Django Channels project (Channels, n.d.), and the usage of Web Sockets, it is possible to asynchronously display the Job Status and the live Job output (standard output and standard error) on a web page.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Use of a New Analytical Model To Match Production Data and Identify Opportunities To Maximize Well Productivity in the Tuscaloosa Marine Shale Reservoir

The low productivity of the oil wells in the Tuscaloosa Marine Shale (TMS) Trend, located in Louisiana and Mississippi, is a mystery. Production data from 55 wells in the TMS Trend were analyzed to identify possible means of enhancing well productivity. The -1/2 slope in a log–log plot for reservoir linear flow (RLF) was observed for some wells, but not all, and the -1 slope for boundary–dominated flow (BDF) has not been seen in the past 5 years of production. The behavior of the TMS wells is attributed to the ultralow permeability of the TMS matrix and the decline of fracture conductivity, both of which delay the BDF. On the basis of the concept of the distance of investigation, derived from the radius–of–investigation concept, the matrix permeability of the seven TMS wells was estimated to be between 34 and 65 nd, with an average of 51 nd. A new mathematical model for production decline of multifractured horizontal wells was developed taking into consideration the time–dependent fracture conductivity during the BDF period. This model fits TMS–well production data, with an average error of 6.12% and an R2 value of 0.96. Assuming constant matrix permeability, fitting the new model to the production data in the BDF period gives a rate of fracture–conductivity decline of between 0.20 and 0.74% per month. The new mathematical model reveals opportunities to optimize well completion to enhance well productivity in the TMS Trend. For a given amount of fracture proppant allocated to a well, the shortest possible fracture spacing should be used to maximize well productivity. If the number of fractures is fixed as a constraint of well completion design, well productivity is inversely proportional to the square root of fracture spacing (i.e., if the fracture spacing is shortened by fourfold, well productivity is expected to double). If the horizontal wellbore length is fixed as a constraint of well completion, well productivity is inversely proportional to fracture spacing (i.e., if the fracture spacing is shortened by 50%, well productivity is expected to double).

Engineering↗

DOE OSTI2018

Surface energy of fayalite and its effect on Fe-Si-O oxygen buffers and the olivine-spinel transition

The surface energy (hydrated surfaces) of fayalite ($α$-Fe 2 SiO 4 ) was determined to be 2.47 ± 0.25 J/m 2 using high-temperature oxide melt solution calorimetry. This is larger than the surface energy of magnetite (Fe 3 O 4 ), but lower than that of forsterite ($α$-Mg 2 SiO 4 ). The changes in the positions of the quartz-fayalite-magnetite (QFM) and quartz-iron-fayalite (QIF) buffers with particle size reduction were calculated. QFM is lowered in $f_{O_2}$ by 3–7 log units as a function of temperature for 30 nm particles while QIF is raised by 1–2 log units. The estimated surface energy difference between olivine and spinel polymorphs decreases the pressure of the olivine-spinel transition in Fe 2 SiO 4 by about 1 GPa.

quartz-iron-fayalite (QIF) buffers↗

DOE OSTI2021

Wyoming CarbonSAFE: Advancing Commercialization of Low-Carbon Energy Technologies in Fossil-Rich Wyoming

Wyoming’s Powder River Basin (PRB) is the most prolific coal producer and exporter in the United States and the State of Wyoming’s largest oil-producing basin. In addition to being a leading energy producer, the PRB is the site of research programs whose aim is to develop and integrate low-carbon technologies into existing fossil fuel energy industries. Much of the PRB’s low-carbon research is focused around Dry Fork Station (DFS), which is the newest coal-fired power station in the western US. Currently, DFS hosts five carbon capture projects, including pilot-scale capture projects that utilize different capture technologies and a full front-end engineering and design (FEED) study, a commercial CO 2 pipeline for nearby CO 2 -enhanced oil recovery industry, and is also co-located with the Wyoming Integrated Test Center, which is a host facility for unconventional carbon utilization research (i.e. flue gas carbon-to-products innovations). DFS is also the host site for the Wyoming CarbonSAFE project. Wyoming CarbonSAFE, funded by the Department of Energy/National Energy Technology Laboratory, is a multi-phased program (currently in Phase II) whose core objective is developing and validating storage sites within a complex capable of storing 50 million metric tonnes of CO 2 over a 30 year project period using carbon capture, utilization and storage (CCUS). This paper will provide an overview of the project to-date, showing that CarbonSAFE goals are achievable with respect to geologic, environmental, regulatory, CO 2 source and economic conditions, and why the State of Wyoming offers one of the more favorable environments to advance the commercialization studies. In 2019, the project team designed and completed a ~10,000 foot stratigraphic test well just south of DFS. From this well, the team collected over 600 feet of core, fluid samples from target injection zones, and a full petrophysical log suite. In addition, legacy 2D seismic lines were acquired and a 3D seismic survey was acquired in the fall of 2020. The objective of these field activities has been to identify and characterize target storage reservoirs and associated caprock. This complex has several reservoirs that could meet commercial injection goals, and over 4000 feet of associated caprock. Simulations of site performance suggest that stacked injection provides the most effective storage strategy, and would necessitate several sites within the greater complex to meet final project injection goals. Other work within this project includes the development of a business-case around proximal fields with CO 2 -enhanced oil recovery potential and existing tax credits, assessment of regulatory conditions, including pore space ownership and Class VI injection well permitting requirements, implementation of a robust public outreach Electronic copy available at: https://ssrn.com/abstract=3821220 GHGT-15 McLaughlin 2 program, and surface site characterization activities that have focused on environmental factors. In the PRB and at DFS, the State of Wyoming and other entities have made carbon management a priority of its future energy industry by providing a regulatory and business framework that is favorable to advancing these technologies. These endeavors will become more realistic with the successful implementation of Wyoming CarbonSAFE, and its ability to secure and validate commercial-scale CCUS at the center of Wyoming’s premier low-carbon research efforts.

McLaughlin, Fred↗

DOE OSTI2016

Impact of Micro-to Meso-scale Fractures on Sealing Behavior of Argillaceous Cap Rocks For CO 2 Sequestration

This multi-disciplinary project evaluated seal lithologies for the safety and security of long-term geosequestration of CO 2 . We used integrated studies to provide qualitative risk for potential seal failure; we integrated data sets from outcrop, core, geochemical analysis, rock failure properties from mechanical testing, geophysical wireline log analysis, and geomechanical modeling to understand the effects of lithologic heterogeneity and changing mechanical properties have on the mechanical properties of the seal. The objectives of this study were to characterize cap rock seals using natural field analogs, available drillhole logging data and whole-rock core, geochemical and isotopic analyses. Rock deformation experiments were carried out on collected samples to develop better models of risk estimation for potential cap rock seal failure. We also sampled variably faulted and fractured cap rocks to examine the impacts of mineralization and/or alteration on the mechanical properties. We compared CO 2 reacted systems to non-CO 2 reacted seal rock types to determine response of each to increased pore fluid pressures and potential for the creation of unintentional hydrofractures at depth.

58 GEOSCIENCES↗

DOE OSTI2016

Idling Reduction for Long-Haul Trucks: An Economic Comparison of On-Board and Wayside Technologies

Reducing the idling of long-haul heavy-duty trucks has long been recognized as a particularly low-hanging fruit of fuel efficiency and emissions reduction. The displacement of about 10 hours of diesel idling every day, for most days of the year, for as many as a million long-haul trucks has very clear benefits. This report considers the costs and return on investment (ROI) for idling reduction (IR) equipment for both truck owners and electrified parking space (EPS) equipment owners. For the truck owners, the key variables examined are idling hours to be displaced (generally 1,000 to 2,000 hours per year) and the price of fuel ($0 to $5/gal). The ideal IR option would provide complete services in varied climates in any location and offer the best ROI on trucks that log many idling hours. For trucks that have fewer idling hours, options with a fixed cost per hour (i.e., EPS) might be most attractive if they were available to all, or even most, truck drivers. EPS, however, is particularly cost effective for trucks on prescribed routes with a need for regular, extended stops at terminals. (EPS is also called truck stop electrification, or TSE.) The analysis shows that all IR options save money when fuel costs more than $2/gal. For trucks requiring bunk heat, a simple heater (plug-in or diesel) is almost always the most costeffective way to provide heat, even if the truck is equipped with an auxiliary power unit (APU) or is parked at a single-system EPS location. For trucks requiring bunk air-conditioning, the use of single-system EPS is most cost effective for those logging fewer idling hours. Even for trucks with higher idling hours, the cost of EPS may be about the same as that for on-board air-conditioning. Clearly, trucks’ locations and seasonal factors—and the availability of EPS— are significant in the choice of “best fit” IR equipment for truck owners. This report also considers costs and payback for owners of EPS infrastructure. An industry that 5 years ago had at least five players has been narrowed to two companies—one in single-system EPS (IdleAir) and the other in dual-system EPS (Shorepower Technologies). Use of EPS by truck drivers has not met initial expectations for a variety of reasons. One area where EPS has particular promise, however, is in the cost-effective provision of reliable air-conditioning. This analysis is focused strictly on cost and fuel savings; it does not consider the important benefits of reduced emissions (i.e., greenhouse gases and criteria pollutants). It is important to note that all IR options provide some emissions benefits. Even where an IR option may not have a rapid ROI, the emissions-reduction benefit may be considerable. Finally, as the U.S. Environmental Protection Agency (EPA) and the U.S. Department of Transportation’s National Highway Traffic Safety Administration (NHTSA) set stricter standards to reduce greenhouse gas emissions and improve the fuel efficiency of medium- and heavy-duty vehicles, the emissions benefits of IR strategies will become increasingly important.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

Well Monitoring System For EGS

This grant is a collection of projects designed to move aircraft high temperature electronics technology into the geothermal industry. Randy Normann is the lead. He licensed the HT83SNL00 chip from Sandia National Labs. This chip enables aircraft developed electronics for work within a geothermal well logging tool. However, additional elements are needed to achieve commercially successful logging tools. These elements are offered by a strong list of industrial partners on this grant as: Electrochemical Systems Inc. for HT Rechargeable Batteries, Frequency Management Systems for 300C digital clock, Sandia National Labs for experts in high temperature solder, Honeywell Solid-State Electronics Center for reprogrammable high temperature memory. During the course of this project MagiQ Technologies for high temperature fiber optics.

15 GEOTHERMAL ENERGY↗

DOE OSTI2017

Contextual Multi-armed Bandits under Feature Uncertainty

We study contextual multi-armed bandit problems under linear realizability on rewards and uncertainty (or noise) on features. For the case of identical noise on features across actions, we propose an algorithm, coined NLinRel, having O(T⁷/₈(log(dT)+K√d)) regret bound for T rounds, K actions, and d-dimensional feature vectors. Next, for the case of non-identical noise, we observe that popular linear hypotheses including NLinRel are impossible to achieve such sub-linear regret. Instead, under assumption of Gaussian feature vectors, we prove that a greedy algorithm has O(T²/₃√log d)regret bound with respect to the optimal linear hypothesis. Utilizing our theoretical understanding on the Gaussian case, we also design a practical variant of NLinRel, coined Universal-NLinRel, for arbitrary feature distributions. It first runs NLinRel for finding the ‘true’ coefficient vector using feature uncertainties and then adjust it to minimize its regret using the statistical feature information. We justify the performance of Universal-NLinRel on both synthetic and real-world datasets.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Prototyping and Testing a New Volumetric Curvature Tool for Modeling Reservoir Compartments and Leakage Pathways in the Arbuckle Saline Aquifer: Reducing Uncertainty in CO 2 Storage and Permanence

This DOE-funded project evaluates the utility of seismic volumetric curvature (VC) for predicting stratal and structural architecture diagnostic of paleokarst reservoirs. Of special interest are applications geared toward carbon capture, utilization, and storage (CCUS). VC has been championed for identifying faults (offset <¼ λ) that cannot be imaged by conventional 3-D seismic attributes such as coherence. The objective of this research was to evaluate VC-techniques for reducing uncertainties in reservoir compartmentalization studies and seal risk assessments especially for saline aquifers. A 2000-ft horizontal lateral was purposefully drilled across VC-imaged lineaments—interpreted to record a fractured and a fault-bounded doline—to physically confirm their presence. The 15-mi² study area is located in southeastern Bemis-Shutts Field, which is situated along the crest of the Central Kansas Uplift (CKU) in Ellis County, Kansas. The uppermost Arbuckle (200+ ft) has extensive paleokarst including collapsed paleocaverns and dolines related to exceedingly prolonged pre-Simpson (Sauk–Tippecanoe) and/or pre-Pennsylvanian subaerial exposure. A lateral borehole was successfully drilled across the full extent (~1100 ft) of a VC-inferred paleokarst doline. Triple combo (GR-neutron/density-resistivity), full-wave sonic, and borehole micro-imager logs were successfully run to TD on drill-pipe. Results from the formation evaluation reveal breccias (e.g., crackle, mosaic, chaotic), fractures, faults, vugs (1-6"), and unaffected host strata consistent with the pre-spud interpretation. Well-rounded pebbles were also observed on the image log. VC-inferred lineaments coincide with 20–80-ft wide intervals of high GR values (100+ API), matrix-rich breccias, and faults. To further demonstrate their utility, VC attributes are integrated into a geocellular modeling workflow: 1) to constrain the structural model; 2) to generate facies probability grids, and; 3) to collocate petrophysical models to separate-vug rock fabrics along solution-enlarged fault and fracture systems. Simulation-based studies demonstrate a potential alternative field development model for developing CO 2 storage sites that target carbonate reservoirs overprinted by paleokarst. Simulation results for this complex reservoir indicate that individual fault blocks could function as discrete containers for CO 2 storage thereby reducing the risk of plume migration outside the legally defined extent of the permitted storage site. Vertically extensive, anastomosing, solution-enlarged fault/fracture systems — infilled by clay-rich sediments — would operate as non-to-low permeability vertical "curtains" that restrict CO 2 movement beyond the confines of the CO 2 storage site. Such a location could be developed in a checker-board fashion with CO 2 injection operations occurring in one block and surveillance operations occurring in the adjacent block. Such naturally partitioned reservoirs may be ideal candidates for reducing risks associated with CO 2 plume breakthrough.

02 PETROLEUM↗

DOE OSTI2017

Schubert Review 2017 2-page summary of AmBe project

Accelerator-based neutron sources to replace Americium Beryllium (AmBe) radiological sources used for oil well logging are needed for safety and security purposes. DT neutron generators have successfully been used in the past for some measurements, but are less sensitive to rock porosity than the AmBe spectrum is. Additionally, the well-logging industry has decades of data calibrated to the AmBe neutron spectrum. Ideally, if this industry were required to use an accelerator source, they would like a similar neutron spectrum to the AmBe source, with a yield of at least 1×10 7 n/s.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2017

Completion Report for Well ER-4-1 Corrective Action Unit 97: Yucca Flat/Climax Mine, Revision 0

Well ER-4-1 was drilled for the U.S. Department of Energy, Nevada National Security Administration Nevada Field Office in support of the Underground Test Area (UGTA) Activity. The well was drilled and completed from March 23 to April 13, 2016, as part of the Corrective Action Investigation Plan (CAIP) for Yucca Flat/Climax Mine Corrective Action Unit (CAU) 97. The primary purpose of the well was to collect hydrogeologic data to assist in validating concepts of the groundwater flow system within the Yucca Flat/Climax Mine CAU, and to test for potential radionuclides in groundwater from the STRAIT (U4a) underground test. The completed well includes one piezometer (p1), to a depth of 663.16 meters (m) (2,175.71 feet [ft]) below ground surface (bgs) and open from the Alluvial aquifer (AA3) to the Oak Spring Butte confining unit (OSBCU) hydrostratigraphic units; and a main completion (m1), which includes 6.625-inch (in.) casing with slotted interval (m1) installed to 906.80 m (2,975.05 ft) bgs in the Lower carbonate aquifer (LCA). A 13.375-in. diameter surface casing was installed from the surface to a depth of 809.00 m (2,654.21 ft) bgs. Well ER-4-1 experienced a number of technical issues during drilling, including borehole instability and sloughing conditions. An intermediate, 10.75-in./9.625-in. casing string was installed to 856.94 m (2,811.48 ft) bgs to control these issues. Borehole stability and erosion problems appear to be associated with the Tunnel Formation (Tn) and the Older tunnel beds (Ton). Overall efforts to stabilize the borehole were successful. Data collected during borehole construction include composite drill cutting samples collected every 3.0 m (10 ft), a partial suite of geophysical logs to a maximum depth of 766.57 m (2,515 ft) bgs, water-quality measurements (including tritium), water-level measurements, and two depth-discrete bailer samples collected at 538.89 m and 646.18 m (1,768 ft and 2,120 ft) bgs respectively. The well penetrated 187.45 m (615 ft) of Quaternary/Tertiary alluvium (QTa), 671.47 m (2,203 ft) of Tertiary Volcanic rocks (Tv), and 66.20 m (217.19 ft) of Paleozoic rocks (|). The stratigraphy and lithology were generally as expected with some exceptions. The top of Paleozoic rocks (|) was predicted to occur at 822.35 m (2,698 ft) bgs and was intercepted at 858.93 m (2,818 ft), a difference of 36.58 m (120 ft). As expected, the Paleozoic rocks (|) are the principal water producing formation in Well ER-4-1. Depth to water was measured after drilling as follows: In the piezometers: p1 at 320.39 m (1,051.16 ft) bgs, (measured January 4, 2017); and in the main production casing interval: m1 at 539.17 m (1,768.92 ft) bgs, (measured December 12, 2016) Geophysical logs and depth-discrete bailer sample analytical results suggest likely zones of prompt injection (underground-test-related) fission products from 472.44 to 481.48 m (1,550 to 1,580 ft) bgs and at approximately 539.50 m (1,770 ft) bgs. Subsequent work at Well ER-4-1 will be included in future reports. Field measurements for tritium were mostly below the Safe Drinking Water Act limit (20,000 picocuries per liter) with the exception of two zones showing elevated tritium concentrations. The first zone is located at approximately 365.76 to 390.14 m (1,200 to 1,280 ft) bgs and a second zone at approximately 542.54 to 566.93 m (1,780 to 1,860 ft) bgs. All Fluid Management Plan requirements were met.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Structural and Stratigraphic Controls on Methane Hydrate occurrence and distribution: Gulf of Mexico, Walker Ridge 313 and Green Canyon 955: Final Report

The goal of this project was to determine structural and stratigraphic controls on hydrate occurrence and distribution in Green Canyon (GC) 955 and Walker Ridge (WR) 313 blocks using seismic and well data. Gas hydrate was discovered in these blocks in coarse- and fine-grained sediments during the 2009 Joint Industrial project (JIP) Leg 11 drilling expedition. Although the immediate interest of the exploration community is exclusively hydrate which is present in coarse–grained sediments, factors that control hydrate and free gas distribution in the two blocks and whether coarse and fine-grained hydrate-bearing units are related in any manner, formed the core of this research. The project spanned from 10/01/2012 to 07/31/2016. In the project, in both the leased blocks, the interval spanning the gas hydrate stability zone (GHSZ) was characterized using a joint analysis of sparse Ocean Bottom Seismic (OBS) and dense, surface–towed multichannel seismic (MCS) data. The project team had the luxury of calibrating their results with two well logs. Advance processing methods such as depth migration and full-waveform inversion (FWI) were used for seismic data analysis. Hydrate quantification was achieved through interpretation of the FWI velocity field using appropriate rock physics models at both blocks. The seismic modeling/inversion methodology (common to both GC955 and WR313 blocks) was as follows. First, the MCS data were depth migrated using a P-wave velocity (VP) model constructed using inversion of reflection arrival times of a few (four in both cases) key horizons carefully picked in the OBS data to farthest possible offsets. Then, the resolution of the traveltime VP model was improved to wavelength scale by inverting OBS gathers up to the highest frequency possible (21.75 Hz for GC955 and 17.5 for WR313) using FWI. Finally, the hydrate saturation (or the volume fraction) was estimated at the well location assuming one of the other hydrate morphology (filling the primary or the secondary porosity) was extrapolated out from the wells using the FWI VP as a guide. General outcomes were as follows. First and foremost, an imaging methodology using sparse seismic data, which is easily replicable at other sites with similar datasets, has been demonstrated. The end product of this methodology at both the leased blocks is quantitative estimates of hydrate distribution. Second, at both locations there is strong evidence that the base of the GHSZ, which does not appear as a clear Bottom Simulating Reflection (BSR), manifests in the VP perturbations created by FWI, suggesting that FWI is sensitive to subtle compositional changes in shallow sediments and establishes it as a valuable tool for investigations of hydrate-bearing basins. Third, through joint interpretation of the depth migrated image and the FWI VP model, how structure and stratigraphy jointly determine hydrate and free gas distribution in both blocks could be clearly visualized. The joint interpretation also suggests that the coarse and fine grained hydrate-bearing sediments at both leased are connected. Site specific results, in addition to general results, are as follows. At GC955 the overlying fine-grained hydrate-bearing unit could have been sourced from the underlying hydrate coarse-grained channel-levee complex through a chimney feature. The channel-levee system at GC955 is compartmentalized by faults, of which only a few may be impermeable. Although compartmentalized, the channel-levee system in the GC955 as a whole might be in communication except selected zones. At WR313 the overlying fine-grained fracture-filled hydrate unit appears to be sourced from below the GHSZ. The reason that only a particular fine-grained unit has hydrate, despite having lower porosity that the bounding units, could be the presence of secondary porosity (such as those formed from clay dewatering under compaction). In conclusion, the project was a pioneering effort in in joint analysis of OBS and MCS datasets for advancing the knowledge about a hydrate and free–gas system dynamics using advanced processing methods such as FWI and depth migration. Results obtained in this project can greatly advance the tools and techniques used for delineating specific hydrate prospects. Results obtained in this project can also be seamlessly incorporated into other DOE funded project on modeling the potential productivity and commercial viability of hydrate from sand-dominated reservoirs. The OBS and MCS data in this project were acquired in 2012 (after the JIP II drilling) by the USGS and therefore the results are a posteriori. Nonetheless, the seismic inversion workflow established through this project can be used to generate various what-if quantification scenarios even in absence of logs and serve as a valuable tool for guiding drilling operations. Results from this project can augment other DOE sponsored projects on determining the commercial viability of methane production from the Gulf of Mexico.

03 NATURAL GAS↗

DOE OSTI2017

Open V2X at ESIF: June 2015 - February 2017 (Final Report)

The University of Delaware (UD), and their industrial partners, have carried out testing, documentation, and standards development at ESIF. These activities are intended to help meet the objective of NREL's INTEGRATE program, to enable clean energy technologies to increase the hosting capacity of the grid, by providing grid services in a holistic manner using an open source, interoperable platform. In particular, the 'Open V2X at ESIF' project worked to facilitate standardization and interoperability for Electric Vehicle technologies, including battery electric vehicles and plug-in hybrid vehicles (hence EV) to provide grid services. This was done by interconnecting and testing EV and EVSE (charging station) hardware from different manufacturers, by developing standards and test protocols for standards, and by documenting new protocols to be proposed as standards. Contractor-supplied equipment used in the testing included Vehicle Smart Links (VSLs) installed in an EV and School Bus, single-phase and three-phase charging stations, and an optimizing aggregator (software running on a server, hence just 'Aggregator'). The Aggregator software was developed by U of Delaware and is now licensed to Nuvve Corp for commercial development, and licensed to NRG/EVgo for demonstrations. The Aggregator monitors capacity and operations of the EVs and EVSEs, dispatches them in response to requests, and reports their operations and metered power flow. In operation, as vehicles move, plug-in and unplug, the aggregator tracks the total capacity available within a defined jurisdiction or RTO (Regional Transmission Organization, synonym for ISO or TSO), and dispatches part or all of that capacity based on market or direct dispatch signals from a grid entity. The VSL is the data acquisition and control module in the resource itself (EVSE or EV), with rich communication between a single Optimizing Aggregator and many VSL (one in each resource). All requests and dispatch events are also logged by the aggregator to make the provision of grid power auditable. For these tests, the dispatch was typically a recorded signal, the VSL was in the EV or EVSE, and the recording of experimental performance was often carried out by the normal logging functions of the aggregator.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

US-India Consortium for Development of Sustainable Advanced Lignocellulosic Biofuel Systems

This multi-institutional project had as it main objectives to develop a fully integrated platform for the production of advanced biofuels, specifically butanol, from sustainably produced switchgrass and biomass sorghum and to develop economic models that could guide the establishment of a crop to fuel value chain. The project was organized into three work packages: (1) WP1 Feedstock Development and Supply. Activities in this WP resulted in the development of improved biomass sorghum cultivars and biomass hybrids that generate high yields of biomass with limited inputs of water, fertilizer and agri-chemicals and that display less recalcitrance to enzymatic saccharification at the biorefinery; the identification of physiological responses and genes associated with sorghum’s tolerance to water logging as the basis for the development of biomass sorghums that can be cultivated on land prone to flooding; the identification of water-logging tolerant switchgrass genotypes among existing germplasm; the identification of management practices that maximize switchgrass biomass yield (fertilizer applications, harvest regimens) on commercial farms on different types of soil in Missouri. (2) WP2 Biorefinery Technologies. This WP included the development of a recombinant E. coli strain able to convert fermentable sugars derived from biomass sorghum and switchgrass to butyrate as a precursor for the advanced biofuel butanol. Butanol is toxic to most microbes, so that yields tend to be low. In contrast, butyrate can be produced in high titer and high yield by several naturally occurring bacteria, but these species are strictly anaerobic, which complicates commercial production. Our strategy involved developing a recombinant strain of E. coli able to produce high yields and high titers of butyrate. The butyrate can then be reduced to butanol via chemical conversion. In addition, a techno-economic analysis of converting sorghum and switchgrass biomass to ethanol was conducted based on data obtained at a pilot biorefinery. These data combined with small-scale butanol production data were used as the basis for a techno-economic analysis of biomass-to-butanol conversion. Furthermore, the biorefinery stillage was evaluated as a source of fertilizer or soil amendment. In contrast to the use of biochar as a soil amendment, stillage resulted in enhanced microbial activity in the soil and release of CO2. Stillage was determined to be a suitable feedstock for biogas production in an anaerobic digester. Biorefinery lignin can be blended with polymers to create novel UV-resistant materials promising for application in outer space, and as a source of organic acids for use in plastics. These applications offer opportunities to create value from the biorefinery residues. (3) WP3. This WP focused on development of economic models that can help define the most successful strategy for implementing biofuel production from bioenergy crops. Southeastern Missouri was determined to be the best location for a bio-butanol facility that processes biomass crops, due to the abundance of feedstock within a small radius of the facility. The most effective transportation method is by rail car. Feedstock availability was considered a more important driver for commercial success than the availability of a butanol market. The average cost of producing switchgrass biomass was calculated to be $65/ton assuming a biomass yield of 8 tons per hectare (the upper end of the yield in the commercial trials in WP2). Lower yields drive up costs, but improved genotypes will conversely reduce costs. Based on farmer surveys, conducting university extension activities was determined to positively influence farmers’ willingness to consider switchgrass. Other factors included experience with pasture land and forest land, and the availability of policies that provide a safety net to the farmers in case of instability in the biofuels market. This instability can be mitigated in part by ensuring adequate biomass supplies through diversification. The project supported the training of 20 graduate students and resulted in 57 peer-reviewed journal articles (with eight additional in review or in progress), eight book chapters and five patents.

09 BIOMASS FUELS↗

DOE OSTI2020

Multi-Scale Modeling Framework for Mercury Biogeochemistry

Multi-Scale modeling of mercury (Hg) geochemical speciation and reactions has been performed by integrating atomistic quantum chemical calculations with continuum scale speciation models. Major progress has been made in the improvement of quantum chemical models to calculate critical thermodynamic data for Hg complexes in aquatic environments. Rapid and reliable quantum chemical approaches have been developed for calculating acid dissociation constants (pK a ) and stability constants (log K), with calculated mean unsigned errors of 0.5 and 1.5 log units, respectively for ligand molecules and Hg complexes. At the continuum scale, systematic analysis of uncertainty propagation in mercury (Hg) speciation modeling has been conducted and was used to identify environmental conditions under which thermodynamic constant uncertainties are significant and recommended to be accounted for. The integrated framework for multi-scale modeling of mercury geochemistry is open to the research community through the web-based multiscale modeling aqueous speciation resource, AQUA-MER. The improved quantum chemical approaches for thermodynamic constant calculations are accessible through AQUA-MER and can be used to provide the missing constants in the continuum scale speciation calculations. In addition to low molecular mass Hg complex speciation, modeling natural aquatic environments also involve the transport of high molecular weight dissolved organic matter (DOM) in reactive flows simultaneously with equilibrium and kinetic reactions. To this end, atomistic MD simulations were performed to capture the details of aggregation, mechanisms and distribution of functional groups in DOM at the molecular level. The elemental composition and calculated bulk properties of the DOM models are in close agreement with experimental measurements. A travel-time based reactive transport model in the hyporheic zone of stream corridors was established for the multicomponent Hg-DOM-S system and implemented through PFLOTRAN.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Pulsed Neutron Capture for Monitoring CO 2 Storage with Enhanced Oil Recovery in Northern Michigan

The Midwest Regional Carbon Sequestration Partnership (MRCSP) was founded in 2003 as part of the U.S. Department of Energy’s (DOE’s) Regional Carbon Sequestration Partnership initiative. Since its founding, MRCSP has made significant strides toward making CCUS a viable option for states in the region. The public/private consortium, funded through the DOE Regional Carbon Sequestration Initiative, brings together nearly 40 industry partners and 10 states. Battelle, as the project lead, oversees research, development and operations and coordinates activities among the partners. The incremental, phased approach has built a valuable knowledge base for the industry and paved the way for commercial-scale adoption of CCUS technologies. From 2008 to 2020, MRCSP Phase III focused on the development of large-scale injection projects. This report is part of a series of reports prepared under the Midwestern Regional Carbon Sequestration Partnership (MRCSP) Phase III (Development Phase). These reports summarize and detail the findings of the work conducted under the Phase III project. Pulsed neutron capture (PNC) logging has been used as part of the MRCSP monitoring of CO 2 injection and storage during assessment of enhanced oil recovery (EOR) in several Northern Niagara Pinnacle Reef Trend (NNPRT) reefs in Michigan. This technique and data processing cost less than traditional fluid sampling and presents a low risk to well operations by utilizing through-tubing logging capabilities. Additionally, monitoring CO 2 migration and break-through can be conducted from a single monitoring well in the reservoir. A total of four reefs were selected for these studies to monitor CO 2 migration and to test the viability and effectiveness of the PNC technology for saturation monitoring in a low porosity and highly diverse lithology environment. This study provides assessment of the technology and recommendations for utilization of saturation analysis.

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DOE OSTI2017

SECARB Report on Post-Injection In-Situ Monitoring

The Southeast Carbon Sequestration Partnership Phase III Anthropogenic Test at Citronelle Field is the United States’ largest prototype of commercial CO 2 capture from a coal-fired power station and transportation, injection, storage and monitoring. This report focuses on the results of the post-injection monitoring period for the Anthropogenic Test. Monitoring methods include both direct and indirect measurements. The Class V Experimental Permit requires extensive monitoring of injected CO 2 at the surface and at deep and shallow depths. The safety, integrity and information objectives of the CO 2 monitoring plan are in place to: (1) create and sustain wellbore integrity; (2) assure safe CO 2 injection operations; (3) verify the location and migration of the injected CO 2 plume; and (4) monitor for any CO 2 leakage. A robust suite of monitoring approaches is utilized for the in-situ monitoring and include, pressure monitoring, various seismic surveys, pulsed neutron logging, reservoir fluid sampling and injection surveys. Data and observations collected using these monitoring methods will be used in the numerical model to inform the post-injection site care monitoring plan. This report describes actions pertaining to in situ monitoring at the Anthropogenic Test Site that were undertaken during the period of September 2014 to May 2016. These monitoring techniques include the acquisition of pressure data, seismic data, pulsed neutron capture logs, reservoir fluid sampling, and tracer gas monitoring. CO 2 injection operations began on August 20, 2012 and terminated on September 1, 2014.

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DOE OSTI2021

Phasor-Measurement-Unit-Based Data Analytics Using Digital Twin and PhasorAnalytics Software

A major objective of this project was to apply GE’s commercial machine learning and data analytics toolsets to large-scale, real-world, anonymized Phasor Measurement Unit (PMU) datasets in order to extract signatures, correlated and/or causal factors, and precursor patterns associated with significant power system phenomena. The project had a particular emphasis on extraction of insights relevant to asset health monitoring, real-time load modeling and cybersecurity monitoring. Additionally, the team was directed to undertake a comprehensive data quality analysis for the provided datasets and encouraged to estimate the ‘machine-learning readiness’ of the datasets by documenting any major obstacles to the application of commercial machine learning algorithms. To accomplish the aforementioned objectives, the project team’s work centered around the identification of key event signatures and application of the identified event signatures for event detection and event classification. The industry-validated, semi-supervised machine learning strategy employed for event signature identification involved several major tasks, including data-preprocessing, generation of an overabundance of features, normal data identification, normality modeling, and event signature identification through a methodical, quantitative ranking of features in order of relevance to each studied event type. Throughout the project, data quality issues and mitigation techniques were investigated. In this report, insights are provided regarding the readiness of the provided synchrophasor datasets for application of machine learning and data analytics. The methodologies employed for this technical strategy are summarized in this report. With regards to data preprocessing and feature generation, the provided Training and Test Datasets were ingested into GE’s big data environment. Subsequently, the team applied bad data cleansing and data imputation scripts, event detection scripts, and application programming interfaces (APIs) to the datasets for convenient data access. The project team completed development and validation of dozens of physics-based, statistics-based and transformation-based feature functions used for the extraction of over 60 synchrophasor features. Using a new parallel feature generation technology developed on this project, over 60 features have been rapidly generated for the full two years’ worth of Training and Test Dataset data associated with both the Eastern and Western interconnects. Even accommodating for temporal down-sampling inherent to the feature extraction procedure, this parallel feature generation activity resulted in a massive feature set with a storage requirement approximately equal to that of the raw training dataset itself. With regards to normal data identification and normality modeling, a normality model was built using the feature data extracted from the Training Dataset and iteratively refined subsequent to incremental adjustments and expansions of the Training Dataset feature data. With respect to event characterization and signature identification, an event signature identification pipeline was developed and used in conjunction with the normality model to identify over 15 event signatures for key event categories within the Training Dataset. The identified event signatures were used to characterize hundreds of key events in terms of relative severity, duration, and location of the event. An investigation was undertaken to identify correlated and causal factors involved in transformer events. A separate investigation into temporal trends in ring-down analysis results was undertaken to determine possible associations between system dynamics and various other factors such as loading, season or year. To validate the identified event signatures, additional work was undertaken to develop signature-based anomaly detection and classification tools suitable for convenient application to the synchrophasor datasets. The anomaly detection and classification tools, suitable for online application, were then applied to the entirety of the Eastern Interconnect Training and Test Datasets. Performance of the event detection and classification tools was evaluated upon receipt of the Test Dataset event logs (i.e., the labels for events contained in the Test Dataset), and promising results were obtained despite several challenges (documented herein) associated with application of supervised or semi-supervised machine learning methods to large-scale, anonymized datasets. Finally, the detection and classification tools were used to detect, classify, and characterize thousands of new events not included in the original event logs provided by the DOE within both the Training and Test Datasets.

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