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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Report for the ASCR Workshop on Basic Research Needs in Quantum Computing and Networking - 2023

Employing quantum mechanical resources in computing and networking opens the door to new computation and communication models and potential disruptive advantages over classical counterparts. However, quantifying and realizing such advantages face extensive scientific and engineering challenges. Investments by the Department of Energy (DOE) have driven progress toward addressing such challenges. Quantum algorithms have been recently developed, in some cases offering asymptotic exponential advantages in speed or accuracy, for fundamental scientific problems such as simulating physical systems, solving systems of linear equations, or solving differential equations. Empirical demonstrations on nascent quantum hardware suggest better performance than classical analogs on specialized computational tasks favorable to the quantum computing systems. However, demonstration of an end-to-end, substantial and rigorously quantifiable quantum performance advantage over classical analogs remains a grand challenge, especially for problems of practical value. The definition of requirements for quantum technologies to exhibit scalable, rigorous, and transformative performance advantages for practical applications also remains an outstanding open question, namely, what will be required to ultimately demonstrate practical quantum advantage?

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

3D printing of packaging inserts from biomass-fungi composites: Environmental sustainability analysis

In this study, a comprehensive Life cycle assessment (LCA) is conducted on molded packaging inserts from expanded polystyrene (EPS) foam, molded packaging inserts from biomass-fungi composite, and 3D-printed packaging inserts from biomass-fungi composite under the low mix / high volume (LMHV) scenario and molded and machined packaging inserts from EPS foam, molded and machined packaging inserts from biomass-fungi composite, and 3D-printed packaging inserts from biomass-fungi composite under the high mix / low volume (HMLV) scenario. Six environmental impact categories—climate change, acidification, eutrophication, fossil resource scarcity, land use, and water consumption—are analyzed to evaluate the environmental trade-offs associated with each type of packaging inserts. Under the LMHV scenario, molded packaging inserts from biomass-fungi composite emerge as the best option due to their lower impact on climate change, acidification and water consumption compared to other types of packaging inserts. Conversely, molded packaging inserts from biomass-fungi composite face challenges in land use and eutrophication, primarily due to raw material production. LCA also reveals that 3D-printed packaging inserts from biomass-fungi composite are the most environmentally favorable option under the HMLV scenario, due to significantly lower contributions to climate change, eutrophication, and water consumption compared to other types of packaging inserts. Conversely, 3D-printed packaging inserts from biomass-fungi composite face challenges in acidification and land use, primarily due to raw material production. As part of the LCA, sensitivity analyses show that sourcing energy from 100% renewable sources substantially lowers climate change impacts across all packaging types, while varying transportation distances results in only minor changes, indicating the dominant role of upstream material and manufacturing processes. Additional sensitivity analysis is conducted under the HMLV scenario to assess the impact of material removal during machining on the environment. The amount of material removal is varied from 10 to 70% for the sensitivity analysis and it highlights that the amount of material removed during machining has no significant impact on climate change for packaging inserts from EPS foam. However, molded and machined packaging inserts from biomass-fungi composite show an increasing trend in climate change with higher amount of material removal, while 3D-printed packaging inserts from biomass-fungi composite exhibit a decreasing trend, driven by reduced raw material usage and energy consumption.

09 BIOMASS FUELS↗
DOE OSTI2022

Techno-economic analyses of several redox flow batteries using levelized cost of energy storage

Development of inexpensive long-duration energy storage supports widespread deployment of variable renewable energy resources onto the electricity grid. Flow batteries are a promising class of devices for long-duration energy storage. Techno-economic modeling is needed to evaluate commercial feasibility of existing technologies and to help guide research and development of new technologies. Levelized cost of storage is a useful metric that accounts for capital and operating costs and energy throughput over the life of a project. This metric is used to compare the economic prospects of lithium ion to eight aqueous and two hypothetical nonaqueous flow batteries in four use cases. Finally, flow batteries with inexpensive active materials are favored in long-duration applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Converter-Interfaced CHP Plant for Improved Grid-Integration, Flexibility and Resiliency

GE Research and its partner GE Renewables have proposed the use of an interface converter solution to increase the penetration of small to medium-sized CHP (1MWe to 20MWe) into distribution grids and improve their flexibility and grid support capability. Indeed, the proposed interface converter solution thanks to presence of the grid-ready inverter, allows to streamline the compliance to grid codes requirements, reduce the interconnection delays and costs and ultimately one of the main barriers for CHP adoption by commercial and industrial facilities. An additional benefit provided by the interface converter is the use of the grid-ready inverter for reactive power which eliminates the need of sizing the generator for that capability. These two benefits highly favor the economic feasibility of converter-interfaced CHP. Five user cases, each in one of the leading U.S states for CHP potential reported by the DOE in its estimation of the U.S Technical Potential of CHP, were selected to compare the economic performances of converter-interfaced CHP as compared with directly-coupled. They include a college campus in California, a hospital in New York, a water reclamation plant in Texas, a hotel in Minnesota, and a large office building in Pennsylvania. Results showed that, the presence of the interface converter allows to increase the return on investment (ROI) by 0.5 to 2 percentage points in most of the cases (4 of 5). Indeed, the interface converter by shortening the interconnection process allows to accelerate revenues while reducing interconnection costs. Added to the reduced cost of the required generator these savings trade favorably the capital cost of the converter. The analysis also showed that the profitability of the converter-interfaced CHP is highly sensitive to the energy price, interconnection delay, and converter cost. However, it appears that if the interface converter can shorten the interconnection process by at least 6 months, adopting this solution will be more economically viable than directly-coupled configuration in almost all the +23,000 sites of the U.S Technical Potential CHP. The evaluation of the benefits of a converter-interfaced CHP also showed that it enables higher ROI when coupled with other distributed energy resources (DER) such as battery energy systems (BESS) or solar photovoltaic (PV). Indeed, in those scenario, the grid-ready inverter included in the interface converter eliminates the need of separate inverters if DC-coupling is used. On the technical performance, it has been verified that the presence of the interface converter allows to reduce by 70% to 80% the CHP short-circuit contribution to grid faults. This not only reduces the mechanical and thermal stresses exposed to the CHP electrical components but also increases the grid hosting capacity which ultimately enables higher penetrations CHP. Another key benefit of the interface converter validated with hardware-in-the-loop simulations and testing is its superior capability for reactive power support. Indeed, using a power hardware testbed with two +700kW inverters configured in back-to-back, a microgrid controller and actual facilities loads it was demonstrated that the presence of the interface converter can help maintain a power factor near ~1 or regulate the voltage to ~1.0pu at the point of common coupling. This benefit can be highly valuable if in the future, due to higher penetration of renewable distributed energy resources (DER), utilities start billing demand charge based on kVA instead of kW as currently. It was also validated that converter-interfaced CHP can dispatch heat and power commands and seamlessly switch between the two modes while consistently controlling the power factor or voltage at PCC. Indeed, the power hardware testing showed that grid-connected converter-interfaced CHP can follow either the power or heat demand while maintaining a unity power factor at converter output. This research proved that the adoption of an interface converter as the solution for interconnection of CHP system into the distribution grid can greatly improve the economic feasibility of small to medium-sized CHP as well as the plant power quality, flexibility and resiliency. Additionally, it allows increased penetrations of CHP into the distribution grid, extends their grid support capability, and facilitates the integration of BESS and PV DER by streamlining their collocation within the same facilities. This ultimately provides an opportunity for commercial and small industrial facilities in the U.S to accelerate their energy transition thanks to the high energy efficiency of CHP systems and its reliable, flexible, and resilient microgrid operation when interconnected with an interface converter.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Assessing Suitable Geologic Carbon Storage Sites Across Utah

Utah has a wealth of potential geological reservoirs for carbon dioxide storage (CS) and a long history of geologic research resulting in an abundance of available subsurface data to evaluate CS potential. Reservoirs may include sandstone, carbonate, and basalt; these rock types are plentiful in Utah’s subsurface and the complex Phanerozoic history throughout the state requires evaluating each geologic region individually for promising reservoir-seal pairs for CO2 storage. Classifying Utah by geologic provinces (or “geo-regions”) allows for customized thinking about suitable CS reservoir and seal distribution, CO2 point sources, land use, and existing infrastructure. Preliminary results from this study highlight the geologic CS potential across 15 geo-regions. Four regions stand out as having high CS potential: the Uinta Basin, San Rafael Swell, Paradox Basin, and the southern Basin and Range Province. The Uinta Basin and San Rafael Swell geo-regions are well suited for CS and have several projects ongoing to evaluate Cretaceous Frontier and Naturita Formations, Jurassic Navajo Sandstone and Entrada Sandstone, and Permian Weber Sandstone reservoir units that lie beneath robust sealing units like the ~5000-ft-thick Mancos Shale and Carmel Formation. Reservoirs such as the Navajo and Weber Sandstones have been demonstrated to be suitable reservoirs through a long history of oil and gas exploration in Utah. New areas of interest include the southern Basin and Range in southwest Utah, where the Jurassic Navajo Sandstone is overlain by the sealing Carmel Formation at suitable depths (>3000 ft), and has good porosities based on outcrop analogue data. Just to the north (e.g., central Basin and Range), legacy wells and 2D seismic data show possible salt and subsurface basalt flows that may provide additional possible CS reservoirs and seals. This geo-region also has the advantage of being coupled with geothermal energy resources that may be used to power burgeoning direct air capture technologies. In the Paradox Basin of southeastern Utah, the Leadville Limestone is a potential storage reservoir beneath the thick (4000–5000 ft), salt-bearing Pennsylvanian Paradox Formation. Although the northern and western parts of Utah offer CS potential, these areas typically contain less infrastructure and subsurface penetrations, creating geologic uncertainty associated with subsurface seals and reservoirs due to a lack of data. Overall, this statewide assessment and ranking is the first step to aid in evaluating CS potential across Utah and provides a foundation for future research in the most favorable locations.

58 GEOSCIENCES↗
DOE OSTI2025

Assessing the deployment of solar-driven hydrogen from biomass at scale in the U.S.

Solar hydrogen from biomass gasification is a promising technology to sustainably produce hydrogen, responsibly dispose biomass waste, and reduce reliance on fossil fuels. However, its large-scale deployment faces challenges due to the geospatial misalignment between biomass resources and solar intensity, which introduces additional supply chain logistics costs. We analyze the logistics cost burden imposed by this misalignment and its impact on successful large-scale deployment of solar-driven hydrogen from biomass in the United States. We also consider associated carbon emissions and explore how the mix of deployed technologies evolves under externally imposed carbon penalties. Our findings show that while economies of scale are known to apply at the processing facility level, the reverse effect occurs at the broader systems-level, driven by logistics. Also, at current technology costs, high carbon penalties would be required to favor deployment of solar based technologies over conventional and hybrid alternatives. We further illustrate strategies and system-level changes to reduce logistics costs and enable sustainable, low-cost hydrogen for decarbonizing different industrial sectors.

Iloeje, Chukwunwike O. [Argonne National Laborator↗
DOE OSTI2021

Chemical-damage MINE: A database of curated and predicted spontaneous metabolic reactions

Spontaneous reactions between metabolites are often neglected in favor of emphasizing enzyme-catalyzed chemistry because spontaneous reaction rates are assumed to be insignificant under physiological conditions. However, synthetic biology and engineering efforts can raise natural metabolites' levels or introduce unnatural ones, so that previously innocuous or nonexistent spontaneous reactions become an issue. Problems arise when spontaneous reaction rates exceed the capacity of a platform organism to dispose of toxic or chemically active reaction products. While various reliable sources list competing or toxic enzymatic pathways' side-reactions, no corresponding compilation of spontaneous side-reactions exists, nor is it possible to predict their occurrence. We addressed this deficiency by creating the Chemical Damage (CD)-MINE resource. First, we used literature data to construct a comprehensive database of metabolite reactions that occur spontaneously in physiological conditions. We then leveraged this data to construct 148 reaction rules describing the known spontaneous chemistry in a substrate-generic way. We applied these rules to all compounds in the ModelSEED database, predicting 180,891 spontaneous reactions. The resulting (CD)-MINE is available at https://minedatabase.mcs.anl. gov/cdmine/#/home and through developer tools. We also demonstrate how damage-prone intermediates and end products are widely distributed among metabolic pathways, and how predicting spontaneous chemical damage helps rationalize toxicity and carbon loss using examples from published pathways to commercial products. We explain how analyzing damage-prone areas in metabolism helps design effective engineering strategies. Finally, we use the CD-MINE toolset to predict the formation of the novel damage product N-carbamoyl proline, and present mass spectrometric evidence for its presence in Escherichia coli.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Co-synthesis of Hydrogen and High-Value Carbon Products from Methane Pyrolysis

The ARPA-E Methane Pyrolysis Project successfully developed a scalable technology for hydrogen production with low-CO x emission through methane pyrolysis, co-producing high-value carbon nanotubes (CNTs). The project focused on optimizing reactor design, enhancing catalyst performance, and assessing techno-economic feasibility to create a commercially viable and environmentally sustainable process. The fluidized bed reactor achieved over 90% methane (CH 4 ) conversion by using a 5% CO 2 co-feed, which stabilizes carbon yields and minimizes catalyst deactivation. This setup allowed for continuous operation across ten cycles, each consisting of a 14-minute pyrolysis phase followed by a 10-minute dislodging phase to remove a fraction of the accumulated carbon, resulting in stable performance and high-quality CNT production. In parallel, monolith reactors coated with Fe demonstrated a sustained methane conversion of 73% while producing CNTs with high crystallinity. Although promising for continuous operation, monolith reactors face challenges in coating durability and scalability, highlighting areas for further optimization in commercial applications. Catalyst formulation played a key role in enhancing process efficiency. The core catalyst used was 5%Fe/Al 2 O 3 (wt%), optimized through wet impregnation, which improved CNT morphology, yielding longer and more uniform CNTs. The catalyst's performance was further enhanced by adding promoters: 2.5 wt% Ni increased methane conversion close to the thermodynamic limit, while 2.5 wt% Mn improved CNT alignment and crystallinity, and 1.5 wt% NaCl boosted CNT morphology but slightly lowered methane conversion. These adjustments allowed the reactor to maintain high methane conversion while producing high-quality CNTs, enabling stable performance over multiple cycles. To address carbon buildup and ensure uninterrupted operation, a pneumatic conveying tube was implemented for effective carbon dislodging in the fluidized bed configuration. CO 2 and H 2 O co-feeds were also introduced to enhance carbon removal, with CO 2 boosting CNT yield by approximately 15%. This setup enabled stable reactor operation across multiple cycles, preventing clogging and minimizing catalyst wear, making the process suitable for industrial scaling. Techno-economic analysis (TEA) projected hydrogen production costs between $\$$1.00 and $\$$1.64 per kilogram, with CNT values assumed at $\$$375/ton and $\$$100/ton. The life cycle assessment showed that CO 2 emissions could be as low as 0.64 kg CO 2 e/kg H 2 at 95% methane conversion assuming an electricity input of 50 kg CO 2 e/MWh. Even at 50% methane conversion, emissions remained below 1 kg CO 2 e/kg H 2 , demonstrating the process's low-emission potential and making it a viable alternative to traditional steam methane reforming. Overall, the results from this project demonstrate the feasibility of a pyrolysis process where carbon is continuously removed from the catalyst surface and hydrogen is continuously produced until a catalyst regeneration step is required to fully clean the catalyst surface and renew catalyst performance. Major open challenges are related to avoiding the loss of catalyst material in the dislodged carbon during fluidized bed conditions, since our best result demonstrated a carbon purity of ~70 wt. % (rest being iron and alumina). A monolith reactor was used to favor dislodgement of carbon compared to fluidized bed conditions but our results do not demonstrate an advantage of the monolith configuration. Catalyst performance was similar to fluidized bed conditions with slower deactivation rates overall, but we could not observe carbon dislodging in any of the tens of experiments that were run at Stanford. Our results show that the most relevant areas of improvement are related to the fundamental understanding of the iron-carbon interface for dislodging, and the development of catalyst that can produce CNTs via a base-growth mechanism such that catalyst is not lost in the dislodgement steps. The final report documents all findings and methodologies in detail, providing a valuable resource for the scientific community. By building on these results, researchers can further advance methane pyrolysis technology, moving toward a more sustainable, scalable pathway for hydrogen production. This work lays the foundation for future research and commercial efforts to reduce emissions in hydrogen production while generating valuable carbon products.

08 HYDROGEN↗
DOE OSTI2021

Heavy Oil Polymer EOR in the Challenging Alaskan Arctic - It Works!

Under co-sponsorship of the US Department of Energy and Hilcorp Alaska LLC the first ever polymer field pilot commenced on 8/28/2018 in the Schrader Bluff heavy oil reservoir at the Milne Point Field on Alaska North Slope (ANS). The primary objective of the pilot is to prove the efficacy of polymer Enhanced Oil Recovery (EOR) to unlock the vast heavy oil resources on ANS. More than two and half years after startup, the polymer injection, supporting laboratory experiments and simulation studies steadily continue. The pilot started injecting hydrolyzed polyacrylamide (HPAM), at a concentration of 1,750 ppm to achieve a target viscosity of 45 cP, into the two horizontal injectors in the flood pattern. Production is monitored in the two horizontal producers. Based on laboratory measurements of polymer viscosity at reservoir conditions, the team decided to reduce polymer concentration to 1,200 ppm since July 2020 in an effort to control injection pressure and optimize polymer utilization. Quality control (QC) on the field ensures uniform polymer solution properties. Representative rock and fluid systems and test conditions are utilized in the corefloods on polymer retention, effect of injection water salinity, polymer loading, and their combinations on oil recovery. A history matched reservoir simulation model for forecasting oil recovery was developed on the basis of all the available field data. Field concerns related to the post-polymer breakthrough impact on flow assurance is addressed via specialized laboratory tests. Notwithstanding early operational disruptions and hydration issues, continuous polymer injection in both injectors has been achieved. To date, 950,000 lbs of polymer or 2 million barrels of polymer solution, equating to 13% of total pore volume (PV), has been placed in the flood pattern, serving as an effective indicator of adequate polymer injectivity. So far, the success of polymer EOR is evident from drastically reduced water cut in the producers, an estimated incremental 1,000 bopd over waterflood, and a favorable polymer utilization of 1.7 lbs/barrel of incremental oil. Polymer breakthrough was observed 26 months after the start of polymer injection. Main observations from corefloods are unusually high polymer retention values in some cases and a positive response to low salinity water. Although the heterogeneity in the flood pattern and exceptionally low water cut pose some challenges, persistent novel and justifiable simulation approaches have resulted in a robust history matched model. Experimental results on produced fluids treatment provide operational guidance for improved oil-water separation and mitigation of heater tube fouling. The ongoing success of the pilot is a key indicator of bringing the team ever closer to meeting the project’s primary objective. The encouraging results of the pilot is one of the drivers that has provided the impetus to apply polymer EOR throughout the Milne Point Field, which would increase oil recovery and extend the economic life of the Trans Alaska Pipeline System. The scientific knowledge, including the many lessons learned from this pilot also has referential value for other potential heavy oil EOR projects throughout the world. The collected data, operational lessons learned, and the overall success of the pilot are summarized in the paper.

None, None↗
DOE OSTI2021

Enhanced heavy oil recovery by low salinity polymer flood combined with microgel treatment

“Heavy oil resources account for a large portion of the total oil reserves around the world. The target heavy oil reservoir is located on Alaska’s North Slope (ANS). Advantages of low-salinity HPAM polymer (LSP) over high-salinity polymer (HSP) were demonstrated. LSP could recover more oil with 40% less polymer consumption. No additional oil was recovered by HSP after LSP flood. The first-ever polymer flood pilot on ANS showed remarkable success regarding water cut reduction, oil production increase, delayed breakthrough, and projected oil recovery improvement. Polymer alone was insufficient to achieve satisfactory recovery as the reservoirs were highly heterogeneous. Microgels could improve the effectiveness of polymer flood by reducing water cut and increasing oil recovery. Favorable working conditions were identified. Microgel transport behavior was studied using superpermeable sandpacks (27-221 darcies) with multiple pressure sensors. The particle-to-pore matching size ratio significantly impacted the effectiveness of the gels. A threshold differential pressure (ΔPth) and critical pressure gradient (∇Pcr) were required to push the gels to penetrate and propagate through the channels. The ΔPth and ∇Pcr revealed the underlying mechanisms of selective penetration/placement behavior of microgels in heterogeneous reservoirs. Diagrams were developed to estimate the maximum propagation distance of the gels in channels in conceptual field applications. Sandwich-like channel models and methodologies were developed to comprehensively evaluate the effectiveness of gel materials. Gel retention in the channels was quantified. Results also indicated that the retained gels were dehydrated. Fluid diversion and sweep improvement after gel treatments were evaluated by tracer tests”--Abstract, page iv.

Zhao, Yang↗
DOE OSTI2024

Basin-scale study of CO 2 storage in stacked sequence of geological formations

Commercial scale decarbonization through carbon capture and storage may likely involve many CO 2 storage projects located in close proximity. The close proximity could raise concerns over caprock integrity associated with reservoir pressure buildup and interference among adjacent projects. Commercial-scale injection will also require large prospective CO 2 storage resource and high injectivity in the targeted storage formations. To accommodate the need for both large resource and high injectivity, project operators could consider injecting CO 2 into a stacked sequence of formations. This analysis investigates the benefits of injecting CO 2 into a vertically stacked sequence of saline formations, over injecting the same amount of CO 2 into a single saline formation, in addressing these challenges. Our analysis shows that injecting into the stacked sequence mitigates the extent of pressure buildup among the stacked formations, while still achieving the same or greater target CO 2 storage volumes. Among cases modeled, the resulting pressure buildup front is most reduced when each storage site distributes injection volumes over several wells, each of which injects a portion of the total CO 2 mass across the stacked sequence. This favorable case not only results in the smallest CO 2 aerial footprint, but also shows the largest reduction in the pressure buildup at the top of perforation at the injection wells (upwards of approximately 46% compared to the single-formation storage), the result of which is crucial to maintain caprock integrity. This analysis provides insights into required decision-making when considering multi-project deployment in a shared basin.

42 ENGINEERING↗
DOE OSTI2020

sCO 2 Brayton System Market Analysis

Supercritical CO 2 Brayton cycle systems (sCO 2 ) offer potential benefits over traditional steam plants. The changing economics of the electricity sector favors solar photovoltaic (PV), wind, and natural gas combined cycle (NGCC). Ultimately, the ability of sCO 2 systems to compete depends on the economics and ability to offer additional benefits to the market, such as the ability for dry cooling and their compact size. Updated results show that the projected LCOE for Brayton systems in the 100 to 300 MWe size range are between ${$}$44.8 and ${$}$56.1/MWh (4.48 and 5.61 cents/kWh). This report presents screening tools for assessing the potential market size and concludes that while at these LCOE estimates sCO 2 systems can compete directly against NGCC, there are many hurdles to commercialization, including the need to demonstrate long-term operations at low-cost and ability to quickly ramp for integration with intermittent resources. Additional customer discovery is necessary to fully understand the ability of this technology to solve customer problems that other technologies cannot.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Addressing energy storage needs at lower cost via on-site thermal energy storage in buildings

Cost-effective energy storage is a critical enabler for the large-scale deployment of renewable electricity. Significant resources have been directed toward developing cost-effective energy storage, with research and development efforts dominated by work on lithium ion (Li-ion) battery technology. Though Li-ion batteries have many attractive qualities, it is not clear whether they can provide an affordable levelized cost of storage (LCOS) for certain applications, such as buildings. Buildings consume most of the world's electricity, and as much as 50% of their consumption goes toward meeting thermal loads. Thermal energy storage (TES) can provide a cost-effective alternative to Li-ion batteries for buildings; however, two questions remain to be answered. First, how much of total building energy storage requirements can be met via thermal storage for building loads? Second, can the LCOS for TES be favorable compared with Li-ion batteries? In this perspective, using the United States as a case study, we show that the total requirement for TES in buildings is in the range of ~1200–4500 electrical GW h, depending on the fraction of solar versus wind in the generation mix. Furthermore, we show that with at least 25% wind generation, all of the storage needed by buildings to support the grid can be met by TES. We also introduce a framework to calculate LCOS for on-site TES in buildings to enable a direct comparison with electrical storage technologies such as Li-ion batteries. This is not trivial, because the input energy type for TES (electricity) differs from the output energy type (thermal energy), and the efficiency can depend on ambient conditions. Our LCOS analysis shows that in many situations, TES can be more cost-effective for buildings than Li-ion batteries. We conclude our perspective by discussing future research and development opportunities that can significantly advance the deployment of TES for buildings to help enable a renewable electricity-dependent grid.

25 ENERGY STORAGE↗
DOE OSTI2021

Transformation Kinetics of Phosphorus and Nitrogen in Iron-Rich Sewage Sludges during Hydrothermal Treatment and Recovery of Nutrients from Process Water

Hydrothermal treatment (HT) is an emerging technique for sustainable sewage sludge management and resource recovery. Many sludges are rich in iron (Fe) due to the common addition of Fe salts in water resource recovery facilities. To develop guidance for reaction conditions targeting nutrient recovery, this study systematically investigated the influence of HT temperature, treatment time, and sludge source on the dynamic speciation evolution of phosphorus (P) and nitrogen (N) during HT of Fe-rich sewage sludge. Complementary chemical extraction and X-ray spectroscopy analyses were conducted to characterize the treatment products. For the sludge mixture (a blend of primary and waste activated sludges), P speciation did not change significantly within 4.5 h at 125 °C HT, while soluble and labile P was converted into insoluble P over time at 175 and 225 °C HT. Strengite (FePO 4 · 2 H 2 O) preferentially formed in the hydrochars with increasing treatment temperature and/or time, whereas 125 °C HT within 1.5 h favored the formation of vivianite (Fe 3 (PO 4 ) 2 ·8H 2 O). Organic P was completely decomposed into orthophosphate when the HT temperature reached up to 175 °C. Pyrrole-N was enriched in the hydrochars. Similar reaction pathways were observed during HT of anaerobically digested sludge, though some minor differences in Fe-associated P and organic P were observed. Meanwhile, HT of the two sludges released orthophosphate and ammonia into the process waters at 175 and 225 °C, which can be recovered by a sequential process involving struvite (MgNH 4 PO 4 ·6H 2 O) precipitation and air stripping. This study provides new insights into the transformation of P and N during HT of Fe-rich sludges as well as a modular design for maximum P and N recovery from the treatment products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Reaction–Diffusion Coupling Facilitates the Sequential Precipitation of Metal Ions from Battery Feedstock Solutions

Here, the development of new technologies for chemical separations is urgently needed to meet the surging demand for critical materials that has strained resources and caused environmental challenges. Inspired by the classic Liesegang experiment, we demonstrated the separation of critical metal ions based on the coupling of ion diffusion and precipitation kinetics. For this purpose, a model feedstock solution simulating dissolved battery electrodes was placed on top of a hydrogel loaded with a precipitating agent, namely sodium hydroxide. As the lithium, manganese, cobalt, and nickel ions diffused into the gel, a gradient of precipitates formed along the length of the reactor. Elemental analysis of the spatially distributed precipitates showed the enrichment of nickel near the gel-solution interface, followed by the formation of an almost pure (>96%) manganese product further along the reactor. Optimization experiments revealed that a sodium hydroxide concentration of 10 mM and a gel/solution volume ratio of 2:1 favored efficient separations. The robustness of the method was demonstrated in four out of five feedstock compositions of typically used battery cathodes. Our proof-of-concept experiments present a paradigm for critical materials separations that does not require specialty chemicals, binding agents, membranes, or toxic solvents.

25 ENERGY STORAGE↗
DOE OSTI2022

microTrait: A Toolset for a Trait-Based Representation of Microbial Genomes

Remote sensing approaches have revolutionized the study of macroorganisms, allowing theories of population and community ecology to be tested across increasingly larger scales without much compromise in resolution of biological complexity. In microbial ecology, our remote window into the ecology of microorganisms is through the lens of genome sequencing. For microbial organisms, recent evidence from genomes recovered from metagenomic samples corroborate a highly complex view of their metabolic diversity and other associated traits which map into high physiological complexity. Regardless, during the first decades of this omics era, microbial ecological research has primarily focused on taxa and functional genes as ecological units, favoring breadth of coverage over resolution of biological complexity manifested as physiological diversity. Recently, the rate at which provisional draft genomes are generated has increased substantially, giving new insights into ecological processes and interactions. From a genotype perspective, the wide availability of genome-centric data requires new data synthesis approaches that place organismal genomes center stage in the study of environmental roles and functional performance. Extraction of ecologically relevant traits from microbial genomes will be essential to the future of microbial ecological research. Here, we present microTrait , a computational pipeline that infers and distills ecologically relevant traits from microbial genome sequences. microTrait maps a genome sequence into a trait space, including discrete and continuous traits, as well as simple and composite. Traits are inferred from genes and pathways representing energetic, resource acquisition, and stress tolerance mechanisms, while genome-wide signatures are used to infer composite, or life history, traits of microorganisms. This approach is extensible to any microbial habitat, although we provide initial examples of this approach with reference to soil microbiomes.

Karaoz, Ulas↗
DOE OSTI2022

Autogenous acid production using a regulated bio-oxidation method for economical recovery of REEs and critical metals from coal-based resources

Acid is a necessary component for the successful leaching of minerals containing REEs (rare earth elements) and other sources. Pyrite (FeS2), which is present in REE containing minerals, can be used to produce acid. Pyrite is utilized as a source to create ferric sulfate and sulfuric acid in the presence of A. Ferroxidans. Such microorganism-based bio-oxidation necessitates the establishment of optimal conditions for continual acid production. For efficient acid generation, additional optimization was done by varying residence time, solid percentage, and airflow rate. A step-by-step analysis and associated details are offered in this work, which used pyrite to create acid for leaching. For the bio-oxidation of pyrite with varying purity, an automated bioreactor was used. Scanning electron microscopy with energy-dispersive X-ray spectroscopy was used to examine the morphology and elemental content of bioleaching sediments. Eh and pH measurements were continuously done to ensure healthy operation of the bioreactors. The analysis suggested that, the Eh value in the range of ∼ 640–680 mV, pH range of ∼ 1.3–1.5 and residence time of 4–6 days with 6% solid feed are favorable conditions of operation.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Irrigation Modernization Task 4: Accelerating Energy Solutions (FY2022 Final Report)

This report offers insights on energy solutions for irrigation modernization that serve the needs of farmers as well as residents and industry in the local community. Solutions are found in the irrigation districts where local generation from renewable energy sources – solar, hydro, and wind – can be combined with energy storage and customer loads. These combined resources configured in microgrids can lower costs during peak loads and provide resiliency by maintaining electricity supply during outages. The goal of this project, as stated in the FY2022 AOP, is to promote realization of energy solutions that are tailored to physical location, community, infrastructure, and energy value streams. Further, it is to develop examples of how to increase value of, and overcome barriers to, energy solutions in the context of irrigation modernization. In pursuit of that goal, the project looked at options for: 1) Reducing the cost of energy consumed in irrigation systems, 2) Increasing the revenue from surplus power generation, and 3) Deploying new power generation configured as part of a local microgrid. Potential solutions to reducing energy costs and increasing surplus power revenue revolve around addressing regulatory and legal constraints tied to how power is purchased by and sold to the irrigator or irrigation district. Some headway was made in identifying barriers and ways to push utilities to be more accommodating to distributed energy sources; however, for the most part, real progress hinges on changes at the regulatory and legislative level. Deployment of local, renewable generation systems can be implemented provided the economics of the project and the location are favorable. In concert with Famers Conservation Alliance and Energy Trust of Oregon, a number of approaches were studied in the past year, including off-grid solar powered pumps, grid-tied community solar projects, and in-conduit canal hydropower systems. Ultimately three viable projects were identified: 1) North Unit Irrigation District/City of Redmond, Oregon Critical Facility Microgrid – offers combined in-conduit hydro and solar power generation. 2) Wallowa County/Joseph, Oregon Irrigation System Upgrades – centered on upgrades to a non-powered dam that will add a turbine as well as in-conduit power in canal feeders downstream. 3) Medford, Oregon Wastewater Treatment Plant Biogas Cogeneration System – centered on building out biogas storage and grid upgrades to power the plant, sell excess power, and provide emergency backup power (supplanting a diesel generator). Each of these projects has characteristics that broaden the understanding of the value of microgrids employing renewable energy to achieve resiliency and net-zero carbon goals. The first two projects are centered on new hydropower systems. Although the Medford project is only tangentially tied to an irrigation district, it was selected for study analysis as it was the only one mature enough (with sufficient data) to complete an analysis within this project year. Thus, we chose to move forward developing a case study, in concert with the Community Water-Power Resilience project, to demonstrate a method for evaluating such projects. Essentially, this case study serves as a template for studies to be carried out next year that more directly involve irrigation system hydropower, e.g., the project at the Wallowa County/Joseph, Oregon Irrigation System. Lastly, it is recognized that the locations and case studies in this report are all located in Oregon. We recognize this as a limitation. While the intent is not to ignore other states or regions, this result is driven by the fact that we have cultivated a collaboration with non-profit entities in Oregon that focus on these topics – Farmers Conservation Alliance and Energy Trust of Oregon. These partners were central to identifying projects that may be good fits for this program. A goal in the coming year is to establish collaboration with entities in other states/regions that, similarly, can connect us to potential projects in their geographic area. The potential benefits from the WPTO’s support for demonstration projects as energy solutions in irrigation districts include: (1) Alternative power supplies for communities and farms using renewable, carbon-free energy resources, (2) Cost savings for electricity for communities and farms, (3) Resiliency of power supplies for critical loads when electricity from the grid is not available, (4) Resiliency of power supplies for critical infrastructure in the event of catastrophic events, and (5) Demonstration of irrigation modernization projects that provide resilience and a reduced carbon footprint to irrigation districts and nearby communities. These deployments can serve as vanguards/archetypes spurring similar projects in other districts and states.

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