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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reactive transport modeling of the Aquifer Thermal Energy Storage (ATES) system at Stockton University, New Jersey during seasonal operations

Hydrogeochemical processes associated with Aquifer Thermal Energy Storage (ATES) operations can often impact the system performance owing to mineral precipitation either at the wellbore or in the aquifer owing to changes in temperature and fluid disequilibria. Although failure of ATES systems due to mineral precipitation ("fouling") is common, predictive reactive-transport models have rarely been applied to plan their design and operation. Here, the objective of this study is to develop a reactive-transport model by coupling thermal, hydrological, and chemical (THC) processes to evaluate effects of introduced atmospheric oxygen on water chemistry, mineral precipitation/dissolution, porosity, and permeability changes associated with an ATES system at Stockton University (New Jersey, USA). The THC model builds on a Thermal-Hydrological-Mechanical (THM) model of the site that evaluated system failure owing to possible fracturing in the caprock or around the wellbore. The causes of the system failure are not known – potential causes include hydraulic fracturing owing to elevated pump pressures that took place, a flow pathway created by one of the boreholes, or a pre-existing natural hydrologic connection between the upper unconfined aquifer and the ATES aquifer, any of which could have led to oxygenated water entering the reservoir and causing the observed Fe-oxide fouling on well screens. The THC model is used to evaluate some of the hypotheses and observations regarding system failure owing to geochemical processes. The reactive-transport code TOUGHREACT V4 was used to model the THC processes during seasonal heating and cooling operations at the Stockton ATES site over 6 years of operation. In the THC simulations, the primary effects on geochemistry were observed when the injection water is saturated with atmospheric oxygen. Simulations show greater precipitation of goethite near the cold wells as compared to the warm wells. Although volume fractions of Fe-hydroxides were relatively small, the model was aimed at processes in the aquifer at the scale of meters and larger rather than at the scale of mm or cm (i.e., a well screen). Kaolinite is the dominant precipitating phase, also around the cold wells. Illite dissolves near the cold wells and precipitates near the warm wells. There is a net decrease in the porosity near the cold wells and increase near the warm wells, although a slight amount of thermal contraction near the cold wells and expansion near the warm wells is responsible for a significant proportion of the porosity change. Owing to the coarse discretization of the numerical grid near the wells (compared to the screen thickness) the magnitude of permeability changes at the wellbore are likely underestimated. The reactive transport model in this study can be used for characterization of aquifers, optimizing the operational parameters (temperature, pressure, pH etc.), and planning of mitigation strategies for ATES systems.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

Efficiency-Optimized Dual Fuel Engine with In-Cylinder Gasoline/CNG Blending

The objective of the proposed project is to demonstrate targeted blending of gasoline and natural gas as a means to reduce petroleum consumption of light-duty spark-ignition engine vehicles by at least 50%. This goal will be achieved through petroleum displacement with natural gas (NG) combined with a relative engine efficiency improvement in excess of 10% while meeting retrofitability requirements with an anticipated payback period of less than 36 months. Further through NG direct injection (DI) a 10% improvement in power density over the PFI baseline will be demonstrated. The proposed project employs a sound R&D approach and combines experimental work with state-of-the-art computational modeling to be able to demonstrate the ambitious project goals. The project spans a 30 month period and is divided in 3 phases with the initial phase focused on experimental characterization of the gaseous jet structure of the high-pressure NG DI injector which is used to validate the 3D-CFD simulation tool. The phase also includes an experimental demonstration of the fundamental feasibility of the proposed dual-fuel approach on an automotive single-cylinder research engine. The scope of the second phase includes optimization of the combustion system by means of virtual design combined with 3D-CFD analysis. The resulting optimized combustion system will be built and experimentally evaluated by the end of the 12 month period. The third and final phase expands the scope by integrating the engine results in a vehicle level simulation tool with the objective of developing an optimized engine control strategy that maximizes the efficiency benefits attainable with the limited on-board NG supplies. A detailed cost analysis to verify that the 36 month amortization period requirement is met will conclude the proposed effort.

42 ENGINEERING↗
DOE OSTI2024

A protocol for model intercomparison of impacts of marine cloud brightening climate intervention

A modeling protocol (defined by a series of climate model simulations with specified model output) is introduced. Studies using these simulations are designed to improve the understanding of climate impacts using a strategy for climate intervention (CI) known as marine cloud brightening (MCB) in specific regions; therefore, the protocol is called MCB-REG (where REG stands for region). The model simulations are not intended to assess consequences of a realistic MCB deployment intended to achieve specific climate targets but instead to expose responses to interventions in six regions with pervasive cloud systems that are often considered candidates for such a deployment. A calibration step involving simulations with fixed sea surface temperatures (SSTs) is first used to identify a common forcing, and then coupled simulations with forcing in individual regions and combinations of regions are used to examine climate impacts. Synthetic estimates constructed by superposing responses from simulations with forcing in individual regions are considered a means of approximating the climate impacts produced when MCB interventions are introduced in multiple regions. A few results comparing simulations from three modern climate models (CESM2, E3SMv2, and UKESM1) are used to illustrate the similarities and differences between model behavior and the utility of estimates of MCB climate responses that were synthesized by summing responses introduced in individual regions. Cloud responses to aerosol injections differ substantially between models (CESM2 clouds appear much more susceptible to aerosol emissions than the other models), but patterns in precipitation and surface temperature responses were similar when forcing is imposed with similar amplitudes in the same regions. A previously identified La Niña-like response to forcing introduced in the Southeast Pacific is evident in this study, but the amplitude of the response was shown to markedly differ across the three models. Other common response patterns were also found and are discussed. Forcing in the Southeast Atlantic consistently (across all three models) produces weaker global cooling than that in other regions, and the Southeast Pacific and South Pacific show the strongest cooling. This indicates that the efficiency of a given intervention depends on not only the susceptibility of the clouds to aerosol perturbations, but also the strength of the underlying radiative feedbacks and ocean responses operating within each region. These responses were generally robust across models, but more studies and an examination of responses with ensembles would be beneficial.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2023

Transient Optimization for the Betterment of Turbine Electrified Energy Management

Gas turbine engine transients are associated with degraded compressor operability, which must be addressed by the engine control system and accounted for in the engine design. Failure to do so may result in events such as compressor stall/surge and combustor blow out. Transient operability concerns constrain the engine design and can result in sacrifices of efficiency and/or thrust responsiveness. The traditional approach to transient operability management is control logic that limits the fuel flow command. A companion paper presents a strategy for optimizing the transient fuel flow control logic taking into consideration transient operability and thrust responsiveness. The study covered here extends this idea to an electrified gas turbine engine that employs a power/energy management concept known as Turbine Electrified Energy Management (TEEM). TEEM uses an electric power system interfaced with the engine (hence the term ‘electrified gas turbine engine’) to further improve transient operability and alleviate associated design constraints. There can be costs associated with implementing TEEM in terms of power and energy requirements that impact the size of the electrical power system. However, the results of this study show that through optimization of the transient limit logic, power and energy requirements needed to implement TEEM can be significantly reduced. Among the conclusions that can be drawn from the results of the illustrative application covered herein are: (1) there is a reduction in the electric machine power requirement to manage operability during accelerations by 200 to 400 hp, and (2) power transfer from the low pressure spool (LPS) to the high pressure spool (HPS) is the most effective option for improving operability during decelerations, followed by the options of only injecting power on the HPS or only extracting power from the LPS.

Turbine Electrified Energy Management↗
NASA NTRSDate not supplied

Transient Optimization for the Betterment of Turbine Electrified Energy Management

Gas turbine engine transients are associated with degraded compressor operability, which must be addressed by the engine control system and accounted for in the engine design. Failure to do so may result in events such as compressor stall/surge and combustor blow out. Transient operability concerns constrain the engine design and can result in sacrifices of efficiency and/or thrust responsiveness. The traditional approach to transient operability management is control logic that limits the fuel flow command. A companion paper presents a strategy for optimizing the transient fuel flow control logic taking into consideration transient operability and thrust responsiveness. The study covered here extends this idea to an electrified gas turbine engine that employs a power/energy management concept known as Turbine Electrified Energy Management (TEEM). TEEM uses an electric power system interfaced with the engine (hence the term ‘electrified gas turbine engine’) to further improve transient operability and alleviate associated design constraints. There can be costs associated with implementing TEEM in terms of power and energy requirements that impact the size of the electrical power system. However, the results of this study show that through optimization of the transient limit logic, power and energy requirements needed to implement TEEM can be significantly reduced. Among the conclusions that can be drawn from the results of the illustrative application covered herein are: (1) there is a reduction in the electric machine power requirement to manage operability during accelerations by 200 to 400 hp, and (2) power transfer from the low pressure spool (LPS) to the high pressure spool (HPS) is the most effective option for improving operability during decelerations, followed by the options of only injecting power on the HPS or only extracting power from the LPS.

transient↗
NASA NTRSDate not supplied

Transient Optimization for the Betterment of Turbine Electrified Energy Management

Gas turbine engine transients are associated with degraded compressor operability, which must be addressed by the engine control system and accounted for in the engine design. Failure to do so may result in events such as compressor stall/surge and combustor blow out. Transient operability concerns constrain the engine design and can result in sacrifices of efficiency and/or thrust responsiveness. The traditional approach to transient operability management is control logic that limits the fuel flow command. A companion paper presents a strategy for optimizing the transient fuel flow control logic taking into consideration transient operability and thrust responsiveness. The study covered here extends this idea to an electrified gas turbine engine that employs a power/energy management concept known as Turbine Electrified Energy Management (TEEM). TEEM uses an electric power system interfaced with the engine (hence the term ‘electrified gas turbine engine’) to further improve transient operability and alleviate associated design constraints. There can be costs associated with implementing TEEM in terms of power and energy requirements that impact the size of the electrical power system. However, the results of this study show that through optimization of the transient limit logic, power and energy requirements needed to implement TEEM can be significantly reduced. Among the conclusions that can be drawn from the results of the illustrative application covered herein are: (1) there is a reduction in the electric machine power requirement to manage operability during accelerations by 200 to 400 hp, and (2) power transfer from the low pressure spool (LPS) to the high pressure spool (HPS) is the most effective option for improving operability during decelerations, followed by the options of only injecting power on the HPS or only extracting power from the LPS.

transient↗
DOE OSTI2021

Production, fuel properties and combustion testing of an iso-olefins blendstock for modern vehicles

With the increasing pressure to decarbonize the transportation sector, exploring strategies that can reduce emissions from light-duty vehicles (LDV) has become critical. Bioblendstocks that allow for higher engine efficiency and fuel economy could complement vehicle electrification and help reach carbon neutrality by 2050. In this context, the potential of a mixture of iso-olefins as a bioblendstock was investigated for multimode boosted spark-ignition (SI)/advanced compression ignition (ACI) engine operation designed to achieve higher overall vehicle fuel economy. By establishing the relationship between the molecular structure of iso-olefins and research octane number (RON), octane sensitivity (S) (i.e., the difference between RON and motor octane number [MON]), and phi-sensitivity a dimethyl-hexenes rich olefins mixture (DMHROM) was identified as a preferred blendstock for SI/ACI combustion engines. Here, a pathway for DMHROM production from biomass-derived ethanol was developed and scaled up. More than 1 gallon of DMHROM blendstock was produced for fuel properties assessment including engine testing. Measurements in a Cooperative Fuel Research Engine showed that the DMHROM blendstock possesses a RON of 94 and S of 13.5, and blends synergistically. Rapid compression machine tests coupled with single-cylinder gasoline direct injection engine measurements demonstrated the 20 vol.% DMHROM blend has higher phi-sensitivity than an olefin-free gasoline base fuel and a typical California Reformulated Gasoline Blendstock for Oxygenate Blending (CARBOB) gasoline fuel. These results demonstrate the potential of DMHROM for improving gasoline fuel performance and quality for operation under ACI conditions. The effectiveness of the aftertreatment system in mitigating emissions was verified and showed that the pure DMHROM blendstock and 20 vol.% blend would not increase non-methane organic gases, NO x , and carbon monoxide (CO) emissions. The DMHROM blendstock was found to slightly decrease sooting tendency when added to a gasoline-base fuel (i.e., ~6% reduction at 20 vol.% blending level). Oxidation stability and lubricant compatibility were both confirmed for the 20 vol.% blend. Overall, these results demonstrate that dimethyl-hexenes have potential for improving engine efficiency and fuel economy while meeting emissions regulations and ASTM specifications for gasoline fuel.

09 BIOMASS FUELS↗
DOE OSTI2026

Microwave-Assisted Hydrogen Generation from Hydrocarbon-Bearing Reservoir Rocks: Stage-Dependent Thermal Runaway and In-Situ Carbonate Engineering

Microwave-assisted hydrogen generation from hydrocarbon-bearing reservoir rocks is strongly influenced by mineralogy, methane activation, carbonate reactions, and thermal runaway behavior. This study investigates a new approach in which carbonate phases are generated in-situ through the reaction of internally produced CO2 with Ca(OH)2 under microwave heating conditions. The objective is to evaluate how rock mineralogy, methane injection, and Ca(OH)2 addition influence hydrogen generation, carbon redistribution, and stage-dependent reaction pathways during microwave exposure. Microwave heating experiments were conducted using Permian Basin reservoir rocks under three experimental conditions: rock-only experiments under Ar atmosphere, CH4–Ar experiments without additive, and CH4–Ar experiments containing 5 wt% Ca(OH)2. Methane-assisted experiments were performed under continuous injection of 30 standard cubic centimeters per minute (sccm) CH4 and 30 sccm Ar. Based on thermal runaway behavior, each experiment was divided into three operational stages: Before Thermal Runaway (BR), After Thermal Runaway–Decrease in Microwave Power (ARD), and After Thermal Runaway– Increase in Microwave Power (ARI). Temperature and gas composition were continuously monitored throughout the experiments. The rock-only experiments demonstrated that hydrogen generation can occur intrinsically from hydrocarbon-bearing rocks under microwave heating, even without externally injected methane. However, hydrogen production did not correlate solely with kerogen content, indicating that mineralogy strongly influences hydrogen-generation pathways. Correlation analyses suggested that kerogen decomposition initially generated CH4, CO, and CO2, followed by secondary hydrocarbon reactions associated with H2 and C2 hydrocarbon formation. Methane-assisted experiments substantially increased hydrogen production; however, identical methane injection rates produced significantly different hydrogen yields among the rock samples, confirming that mineralogical composition controls methaneconversion behavior under microwave heating conditions. The addition of Ca(OH)2 significantly altered carbon evolution behavior in a stage-dependent manner. During the BR stage, Ca(OH)2 reduced gas-phase CO2 production, particularly in carbonate-rich rocks, indicating favorable conditions for in-situ carbonation and carbonate deposition prior to extensive thermal decomposition. The suppression of CO2 during BR became more pronounced with increasing carbonate content of the rock system. After thermal runaway, carbonate-containing systems exhibited enhanced hydrogen generation behavior, suggesting that carbonatederived mineral transformations and carbonate-mediated reactions contribute to high-temperature hydrogen-generation pathways. In carbonate-poor rocks, Ca(OH)2 addition enabled simultaneous URTeC 4493775 2 enhancement of hydrogen production and partial suppression of CO2 release during the post-runaway stages. Overall, the results demonstrate that microwave-assisted hydrogen generation is governed by dynamically evolving interactions among kerogen decomposition, methane activation, mineral transformations, carbonate formation/decomposition, and thermal runaway behavior. This work introduces in-situ carbonate engineering with Ca(OH)2 as a strategy for coupling hydrogen generation with partial insitu carbon management under microwave heating conditions.

03 NATURAL GAS↗
NASA NTRS2013

Mars Sample Return Using Commercial Capabilities: ERV Trajectory and Capture Requirements

Mars Sample Return was presented as the highest priority planetary science mission of the next decade [1]. Lemke et al. [2] present a Mars Sample Return mission concept in which the sample is returned directly from the surface of Mars to an Earth orbit. The sample is recovered in Earth Orbit instead of being transferred between spacecraft in Mars Orbit. This paper provides the details of this sample recovery in Earth orbit and presents as such a sub-element of the overall Mars sample return concept given in [2]. We start from the assumption that a Mars Ascent Vehicle (MAV), initially landed on Mars using a modified SpaceX Dragon capsule, has successfully delivered the sample, already contained within an Earth Return Vehicle (ERV), to a parking orbit around Mars. From the parking orbit, the ERV imparts sufficient Delta-V to inject itself into an earthbound trajectory and to be captured into an Earth orbit eventually. We take into account launch window and Delta-V considerations as well as the additional constraint of increased safety margins imposed by planetary protection regulations. We focus on how to overcome two distinct challenges of the sample return that are driven by the issues of planetary protection: (1) the design of an ERV trajectory meeting all the requirements including the need to avoid contamination of Earth's atmosphere; (2) the concept of operations for retrieving the Martian samples in Earth orbit in a safe way. We present an approach to retrieve the samples through a rendezvous between the ERV and a second SpaceX Dragon capsule. The ERV executes a trajectory that brings it from low Mars orbit (LMO) to a Moon-trailing Earth orbit at high inclination with respect to the Earth-Moon plane. After a first burn at Trans-Earth Injection (TEI), the trajectory uses a second burn at perigee during an Earth flyby maneuver to capture the ERV in Earth orbit. The ERV then uses a non-propulsive Moon flyby to come to a near-circular Moon-trailing orbit. To perform the Earth Orbit Rendezvous (EOR), a second Dragon capsule is then launched from Earth and a similar lunar flyby is performed to rendezvous with the ERV. The requirements for rendezvous, close proximity operations and capture of the sample canister are described. A concept of operations for sample retrieval is presented along with design specifications of the ERV, the required modifications to the Dragon capsule, as well as the hardware, software, sensors, actuators, and capture mechanisms used. In our concept, a container is mounted to the front hatch of Dragon, capable of accommodating the sample canister and sealing it from the rest of the capsule. The sample canister is captured using a robotic arm with a magnetic grappling mechanism. Dragon then performs a propulsive maneuver to return to Earth for a controlled re-entry while the ERV (sans sample container) is left in the Moon trailing orbit. Contingency cases and related mitigation strategies are also discussed, including the advantages and disadvantages of performing the ERV rendezvous with a crew.

Faber, Nicolas F.↗
DOE OSTI2020

Time-resolved 3D imaging of two-phase fluid flow inside a steel fuel injector using synchrotron X-ray tomography

The multiphase flow inside a diesel injection nozzle is imaged using synchrotron X-rays from the Advanced Photon Source at Argonne National Laboratory. Through acquisitions performed at several viewing angles and subsequent tomographic reconstruction, in-situ 3D visualization is achieved for the first time inside a steel injector at engine-like operating conditions. The morphology of the internal flow reveals strong flow separation and vapor-filled cavities (cavitation), the degree of which correlates with the nozzle's asymmetric inlet corner profile. Micron-scale surface features, which are artifacts of manufacturing, are shown to influence the morphology of the resulting liquid-gas interface. The data obtained at 0.1 ms time resolution exposes transient flow features and the flow development timescales are shown to be correlated with in-situ imaging of the fuel injector's hydraulically-actuated valve (needle). As more than 98.5% of the X-ray photon flux is attenuated within the steel injector body itself, we are posed with a unique challenge for imaging the flow within. Time-resolved imaging under these low-light conditions is achieved by exploiting both the refractive and absorptive properties of X-ray photons. The data-processing strategy converted these images with a signal-to-noise ratio of similar to 10 into a meaningful dataset for understanding internal flow and cavitation in a nozzle of diameter 200 mu m enclosed within 1-2 millimeters of steel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Stacked Greenfield and Brownfield ROZ Fairways in the Illinois Basin Geo-Laboratory: Co-Optimization of EOR and Associated CO 2 Storage

Residual oil zones (ROZs) are economically viable targets for carbon dioxide enhanced oil recovery (CO 2 -EOR); thick, carbonate ROZs in the San Andres Formation in the Wasson Field of the Permian Basin are an example. Incremental oil produced from CO 2 -EOR can be carbon negative via associated storage of injected CO 2 . Given the regional extent of ROZ fairways and generally higher net utilization of CO 2 (compared to conventional CO 2 -EOR), ROZs provide the opportunity for significant carbon neutral to carbon negative oil production with associated CO 2 storage, and therefore should be a priority target for exploration. However, ROZs have not been widely recognized or identified due to poor or no conventional oil production. Hence, in places like the Illinois Basin (ILB), exploratory analyses are required to recognize the existence of an ROZ. As part of this study, four formations were selected for detailed regional characterization and analysis: Carper Sandstone (part of the Borden Siltstone), Tar Springs Sandstone, Cypress Sandstone, and Middle Devonian (Geneva Dolomite and associated Dutch Creek Sandstone). The four formations underwent regional geological characterization to develop a regional geologic framework for the ROZs and their overlying seals. Findings of this study are supported by data from two field laboratory sites, one with stacked greenfield ROZs and the other with a stacked complex that includes a brownfield ROZ and depleted conventional reservoirs. The field laboratory sites were used to collect data and conduct tests to validate ROZ detection methodologies and identify economic field-deployable strategies to co-optimize CO 2 -EOR and associated storage in stacked ROZs. Findings from these field sites were extrapolated to characterize the basin-wide stacked ROZ fairway resource.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2019

Mid-Atlantic U.S. Offshore Carbon Storage Resource Assessment Project (Final Technical Report)

The greatest potential for carbon storage in the northeastern United States lies in the offshore geologic formations comprising the outer continental shelf (Monteverde et al., 2011). Offshore storage can be linked to large point-sources of carbon dioxide (CO 2 ) while avoiding many of the logistical difficulties and potential risks encountered when siting onshore projects, especially in densely populated areas of the East Coast. Offshore CO 2 storage assessment and research in the United States is underway to address uncertainty in potential storage resources, particularly in the mid- and north-Atlantic offshore area. Given the current knowledge base and access to publicly available data, the objectives of the Mid-Atlantic U.S. Offshore Carbon Storage Resource Assessment Project (MAOCSRAP) were fourfold: (1) complete a systematic carbon storage resource assessment of the mid-Atlantic offshore coastal region from the Georges Bank Basin (GBB) through the Long Island Platform (LIP) to the southern Baltimore Canyon Trough (BCT); (2) define key input parameters to reduce uncertainty for offshore storage resource and efficiency estimates; (3) perform a preliminary assessment of risk factors, uncertainties, and data gaps; and (4) engage industry and regulatory stakeholders through development of a Road Map to assist future project planning and implementation. The MAOCSRAP project has compiled, inventoried, and assimilated various publicly available data sets to provide a strong technical basis on which future carbon storage studies and applications can be built. The knowledge infrastructure necessary to support the development of full-scale offshore carbon storage include: Defining the geologic characteristics of candidate storage sites (Chapter 2). Using existing seismic data to better define the continuity of the storage zones and seals (Chapter 3). Cataloguing the hydrogeologic properties of mid-Atlantic offshore storage sites (Chapter 4). Calculating prospective CO 2 storage resources using net effective pore volumes and fluid displacement properties specific to offshore lithologies (Chapter 5). Examining risk factors related to offshore storage (Chapter 6). Communicating with industry and other stakeholders about the future prospects for offshore storage (Chapter 7). Ensuring technology transfer to industry and other stakeholders (Chapter 8). Led by Battelle, this project was conducted by public and private entities with expertise in offshore geology and resources for the study region, including state geological surveys of Delaware, Maryland, and Pennsylvania; United States Geological Survey-Woods Hole Coastal and Marine Science Center and Haifa University; Rutgers University; Harvard University; and Lamont-Doherty Earth Observatory (LDEO) at Columbia University. The storage resource assessment was completed for a broad region offshore of the U.S. East Coast, from Massachusetts to Virginia. The results include high-level storage resource estimates for areas not previously characterized and improved storage resource estimates for geographically expansive portions of offshore geologic units. Results of the project provide a foundation for developing CO 2 storage along offshore areas of the mid-Atlantic United States. A combination of information was used to provide confidence in project results. Key findings of the major project tasks are summarized as follows. Subsurface Data Analysis: Legacy seismic, well-log, core, and biostratigraphic data were digitized, reprocessed, and analyzed using modern techniques, augmenting previous characterization efforts. The sequence stratigraphic framework for the Cretaceous and Jurassic strata was developed by correlating well-log depositional sequences to seismic reflectors identified in the BCT, LIP, and GBB. The integration of well-log stratigraphy with seismic stratigraphy and petrophysical analysis helped to identify and map potential storage zones within sequences of the Logan Canyon (LC), Missisauga, and Mohawk formations, as well as the regionally extensive caprock comprised of the Dawson Canyon shale. Approximately 4,000 kilometers (km) of seismic data was reprocessed to create a structural framework that was used to tie together all available well data, constrain sequence stratigraphic interpretations, and make regional assessments of offshore carbon storage resources. Prospective storage resource estimates were 150 to 1136 megatons (Mt) for the combined storage zones. This suggests mid-Atlantic U.S. offshore formations can store decades of CO 2 from industrial sources in the region. Preliminary local reservoir simulations suggest that injection rates of 1 Mt CO 2 /year may be sustained for 30 years in single injection wells in the BCT. Advanced geologic modeling and new data acquisition are needed to address data gaps and advance carbon capture and storage (CCS) in key offshore areas selected for further investigation. Offshore Risk Factors: Offshore geologic risk factors include soft sediment deformation, unit continuity, sedimentological and structural features, seismicity and hydrates. CO 2 storage risks include inadequate seals, migration/leakage, and chemical interactions leading to decreased storage. Sensitive habitats, environmental impacts, disturbance to seafloor, and other risks need to be identified in advance of project activities and integrated into detailed mitigation plans for all project phases. Stakeholder Engagement: Input and participation from government, industry, and environmental groups provided input into the Road Map and address next steps needed for project deployment. Early engagement and ongoing communication, as well as policy framework development, is key to large-scale deployment of CCS. Next Steps: This project represents an important first step by completing a high-level CO 2 storage resource assessment and building the knowledge infrastructure necessary to improve quantitative storage resource estimates. The data sets that have been curated under this project provide an opportunity to conduct research and development (R&D) needed to address data gaps and reduce risk and uncertainty. Offshore characterization and validation strategies that are systematically designed to provide data and infrastructure that can be upscaled to meet commercial requirements could be developed off of this foundation.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Towards time-resolved MicroED grid preparation using mix-and-inject gas dynamic virtual nozzles

Recent progress in gas dynamic virtual nozzle (GDVN) technologies in combination with high-brilliance synchrotron and X-ray free-electron lasers (XFELs) has allowed the visualization of protein dynamics in crystallo by mixing macromolecular protein crystals with a substrate using tunable mixing times on the order of milliseconds to seconds prior to serial X-ray diffraction data collection. This has become the method of choice for high-resolution structure determination of intermediate states. However, such experiments require large counts of crystals of proper sizes for high-resolution data collection, and premium beam times for screening efforts. Cryogenic microcrystal electron diffraction (MicroED) represents a complementary technique that may be a more accessible avenue for time-resolved nanocrystallography compared with serial X-ray diffraction experiments. MicroED can produce full diffraction datasets from just a few submicrometre-thick crystals, and the approach is more readily accessible, requiring standard cryogenic transmission electron microscopy (TEM) equipment available at many universities and institutes. Cryogenic MicroED, like other forms of cryo-EM, begins with rapidly freezing biological material on electron microscopy grids. In the case of MicroED, micro- to nano-crystals (<500 nm thick) are deposited onto electron microscopy grids and plunge-frozen for subsequent electron diffraction data collection. Here, we have incorporated GDVN technology developed originally for XFEL experiments into the freezing process as a first step towards time-resolved studies. We describe the limited deposition efficiency of the model MicroED protein proteinase K on TEM grids using GDVNs, preceding sample vitrification and successful MicroED data collection. We discuss both the initial results from such experiments and the methodological challenges in developing this approach into a reliable workflow for millisecond-to-second time-resolved structural studies of macromolecules. Our results promise a strategy to deposit crystals on grids using GDVNs and determine high-resolution structures by MicroED, constituting a first step towards development of time-resolved MicroED experiments.

MicroED↗
DOE OSTI2026

Flexible Natural Gas/Hydrogen CHP System

This project included design, development, and demonstration of a cost-effective and scalable, unique-to-the-industry 2.0 MWe fuel-flexible Caterpillar G3516 CHP genset that can run on 100% hydrogen, 100% natural gas, and up to 25% blends of hydrogen in natural gas (volume basis). This was accomplished based on over two years of extensive R&D work done on a single-cylinder engine for developing innovative hydrogen fueling, combustion, air, and electronic control systems design and strategies. Findings from the single-cylinder engine work were scaled up and applied for modifications of and lab testing and development of a 2.0 MWe 16-cylinder G3516 fuel-flexible engine-genset and electronic controls systems. During this testing and development in the engine lab, the genset was run on 100% hydrogen, 100% natural gas, and up to 25% blends of hydrogen in natural gas (volume basis) and its steady-state and transient performance and emission were documented.

03 NATURAL GAS↗
DOE OSTI2021

Preheating and premixing effects on NO x emissions in a high-pressure axially staged combustor

NO x emissions remain a primary concern for modern and future gas turbines, particularly as we progress towards a net-zero carbon future. It is critical to identify novel strategies to mitigate environmental pollutants for both modern turbines operated on natural gas and future turbines projected to use carbon-free fuels (such as hydrogen). In the current study, NO x emissions of a reacting methane-air jet in a vitiated crossflow are experimentally investigated in a model axially staged combustor at 5 atm. The combustion products from the main stage combustor flow into the axial stage at temperatures ranging from 1580 to 1650 °C. The axial stage contains a reacting jet in crossflow, which provides an overall temperature rise ranging from 50 to 220 °C to generate exit temperatures similar to gas turbine engines. The focus of this paper is to explore the effects of flame liftoff and ignition timescales on the NO x contribution of this secondary jet. This is done by varying the premixed level and preheat temperature of the axial jet. The effects are explored at different momentum flux ratios (J), jet equivalence ratios (φ jet ), exit temperatures (T exit ), and main stage (headend) temperatures (T HE ). High-speed CH* chemiluminescence imaging is employed for each test case to determine the flame stabilization point. For a given temperature rise and combustor exit temperature, an increase in ignition delay was observed with a decrease in jet temperature. This provided a NO x benefit, particularly for jets that are injected at or close to an ignitable mixture fraction. Similarly, the coaxial injector caused a significant ignition delay compared to the fully premixed injector; this also led to a NO x benefit. Overall, the results show that a thermally driven delay in the axial stage provides a greater NO x reduction than a mixing delay.

03 NATURAL GAS↗
DOE OSTI2021

Depletion of Fractalkine ameliorates renal injury and Treg cell apoptosis via the p38MAPK pathway in lupus-prone mice

Highlights: • FKN and p-p38 were increased in the renal of lupus mice. • Anti-FKN antibody and SB203580 ameliorated renal injury in lupus mice. • FKN KD and SB203580 reduced cell apoptosis, and suppressed p38MAPK signal in Treg cells derived from lupus mice spleen. • The p38MAPK activator U-46619 had the opposite effect in these cells. • Depletion of FKN ameliorates renal injury and Treg cell apoptosis via p38MAPK signal in lupus nephritis. Fractalkine (FKN) is a chemokine with several roles, including chemotaxis; adhesion; and immune damage, which also participates in cell inflammation and apoptosis and responds to the pathogenesis of autoimmune diseases. Given the involvement of regulatory T cells (Treg) cells in autoimmune diseases, this study investigated the regulatory mechanism of FKN in renal injury and Treg apoptosis via the p38 mitogen-activated protein kinase (p38MAPK) signaling pathway in lupus-prone mice. Lupus was induced in BALB/c female mice by injection of pristane, followed by isolation of CD4{sup +}CD25{sup +} Treg cells from the spleen of lupus model mice. To deplete FKN, mice received injection of an anti-FKN antibody, and Treg cells were transfected with FKN small-interfering RNA. Lupus mice and Treg cells were treated with the p38MAPK inhibitor SB203580 and activator U-46619, respectively, and urine protein and serum urea nitrogen, creatinine, and autoantibodies were measured and renal histopathological changes analyzed. We determined levels of FKN, phosphorylated p38 (p-p38), and forkhead box P3 (FOXP3) in renal tissue and Treg cells, and analyzed apoptosis rates and levels of key apoptotic factors in Treg cells. The renal FKN and p-p38 levels increased, whereas renal FOXP3 level decreased in lupus-prone mice. Treatment with the anti-FKN antibody and the p38MAPK inhibitor ameliorated proteinuria and renal function, significantly reducing serum autoantibody, renal FKN, and p-p38 levels while increasing renal FOXP3 level in lupus-prone mice. Moreover, FKN knockdown and administration of the p38MAPK inhibitor reduced apoptosis and levels of pro-apoptotic factors, increased levels of anti-apoptotic factors, and suppressed activation of p38MAPK signaling in Treg cells derived from lupus model mice. Furthermore, treatment with the p38MAPK activator U-46619 had the opposite effect on these cells. These data indicated that depletion of FKN ameliorated renal injury and Treg cell apoptosis via inhibition of p38MAPK signaling in lupus nephritis, suggesting that targeting FKN represents a potential therapeutic strategy for treating Lupus nephritis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

A cloud computing approach to massively-parallel distributed stochastic optimization with application to geomechanical reservoir characterization

Many search strategies used to optimize parameters during hydrologic model calibration are inherently limited in that simulations must be performed sequentially in order for the algorithm to converge. As a result, the overall time required to reach a solution increases linearly with the number of steps necessary. In contrast, sampling strategies that attempt to approximate the posterior distribution of the parameters do not require the model simulations to be run in sequence and therefore invite the use of a massively parallel approach across heterogeneous computing environments. We apply a cloud computing methodology to this problem where a head node running on Amazon Web Services continuously produces candidate models that are distributed to arbitrary compute environments to run the simulation, in our case Clemson’s Palmetto cluster computer. Thus the time required to obtain a sufficient number of samples to produce an adequate approximation of the posterior distribution of the parameters is limited by the number of available compute sites. Monte Carlo sampling of the posterior space would be duplicative and inefficient, thus we combine Latin hypercube methods with genetic algorithms to ensure that no large regions of the parameter space are left unexplored, and that high probability regions are investigated thoroughly. We independently assess the fit to different types of data sets without the need to construct a single objective function. Sets of Pareto optimal models are particularly valuable when the quality and information content of data is poorly known or conceptual model errors exist in our simulation. We illustrate our approach for a problem where in situ strain data are used to calibrate the parameters of an oil reservoir in the Avant oil field in Oklahoma. We use well injection and shut-in to stress a deep (500m) confined formation, and observe the geomechanical response using borehole strainmeters installed in the shallow subsurface (30m). These data were then used to calibrate the poroelastic properties of the reservoir and caprock along with the geometry of an elliptic channel associated with the formation. Using our approach we are able to identify issues with model error as well as substantial tradeoffs that occur within the parameters.

inversion, stochastic, geomechanics, poroelastic, ↗