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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Understanding and improving anode performance in an alkaline membrane electrolyzer using statistical design of experiments

The behavior of the oxygen-evolving positive electrode (i.e. anode) in the anion exchange membrane water electrolyzer (AEMEL) is complex and influenced by several factors. Very few studies have been performed to understand oxygen evolution reaction (OER) behavior by optimizing the individual factors that influence performance. Here, this study highlights the effects of catalyst loading, catalyst selection, porous transport layer (PTL) type and conductive additive content. The influence of each factor is elucidated through a design of experiments (DoE) approach with a full statistical analysis. Electrochemical data, alongside Pareto charts, parametric trends and their mutual interactions are discussed. This DoE approach is also helpful in making useful predictions and discovering new combinations to be tested. The end result was a high-performance AEMEL able to operate at a current density of 1.0 A/cm 2 at 1.80 V with IrOx OER and PtNi hydrogen evolution reaction (HER) catalysts using 0.3 M KOH fed to the anode. Even lower operating voltage was observed with PbRuOx catalyst at the anode, 1.64 V @ 1.0 A/cm 2 , though the cell decay rate was higher. Lastly, a IrOx/PtNi cell was stably operated continuously for 30 days (720 h) at 1.0 A/cm 2 . This study can serve as a guide for optimal electrode design with insights into component-performance compromises, which can aid in making design choices and performing techno-economic analyses.

08 HYDROGEN↗
DOE OSTI2026

Comparison of ammonia with methanol, liquefied natural gas and conventional marine transportation fuels through life cycle cost and emissions analysis

This work evaluates ammonia as a potential marine fuel for a SUEZMAX tanker and compares it with methanol, liquefied natural gas, and conventional fuel oils. The motivation arises from the need to identify low-emission, cost-competitive fuel options that can reduce greenhouse gas emissions from international shipping. The central hypothesis is that ammonia produced from renewable energy sources can achieve lower well-to-wake greenhouse gas emissions with varying life cycle costs based on the region. Life cycle assessment and techno-economic analysis were performed for a thirty-year vessel lifetime on two representative trade routes: from Saudi Arabia to Japan and from Saudi Arabia to the Netherlands. Four ammonia production pathways were assessed: natural gas, natural gas with carbon capture, natural gas pyrolysis, and renewable electricity–based synthesis. Results show that wind-based ammonia produced in Saudi Arabia achieved the lowest life cycle well-to-wake greenhouse gas emissions, between 0.58 and 0.64 million metric tons, among all fuels when using regional grid process electricity. With renewable process electricity, ammonia produced from natural gas pyrolysis in Saudi Arabia showed comparable emissions of 0.37 to 0.44 million metric tons with wind-based ammonia of 0.37 to 0.43 million metric tons. Liquefied natural gas exhibited the lowest life cycle cost, between 402 and 412 million United States dollars, and the only negative carbon abatement cost, ranging from −277 to –322 United States dollars per metric ton of greenhouse gas, compared with high sulfur fuel oil. The findings indicate that renewable ammonia offers a promising long-term pathway for reducing shipping emissions, while liquefied natural gas remains the most cost-effective option in the near term.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Levelized Cost of CO 2 Captured Using Five Physical Solvents in Pre-combustion Applications

Aspen Plus v8.8 was used to perform techno-economic analysis (TEA) of a CO 2 capture process from a typical fuel gas stream in a 543-MW pre-combustion power plant using five different physical solvents (Selexol, PEGPDMS-1, NMP, [aPy][Tf 2 N] and [hmim][Tf 2 N]). The process included a countercurrent packed-bed absorber operating under high-pressure over a wide range of temperatures and three pressure-swing flash drums for solvent regeneration. Furthermore, two packings, Mellapak 250Y and IMTP50, were used and the Levelized costs of CO 2 captured (LCOC) were calculated. The simulation results indicated that using Mellapak 250Y exhibited lower LCOC values than those when using IMTP50 for the five solvents under all conditions used as it offered better mass transfer. The CO 2 capture process carried out at low temperatures showed lower LCOC values than those at higher temperatures due to the increased CO 2 solubility in the solvents at lower temperatures, requiring smaller absorber diameter and lower solvent circulation rates, which offset the cooling requirements. Comparing the lowest LCOC values for the five solvents, the hydrophobic PEGPDMS-1 solvent was the most promising one compared to the other four solvents, due to its lowest capital and operating costs and noncorrosive, which enabled using less expensive materials for the process equipment.

42 ENGINEERING↗
DOE OSTI2024

Fundamental benchmarking of the discharge properties of negative electrodes in lead acid batteries

The unprecedented scale of energy storage deployment needed to allow high penetration of intermittent renewable energy sources into the electrical grid places significant economic cost and performance targets on battery technologies. Lead batteries, owing to their highly abundant and inexpensive raw materials, can be considered an important solution to grid storage as long as they achieve high material utilization, fast recharge rates, and long cycle life. To address the limitations in material utilization, we need to revisit the electrochemical processes during the discharge step and answer the following question: what are the fundamental limits of the discharge reaction? In this work we discuss how well-defined lead metal surfaces with nanometer scale roughness allow us to resolve the accessible discharge capacity for both faradaic and non-faradaic processes as a function of electrolyte concentration and in the presence of traditional additives. The direct connection between PbSO 4 layer morphology and discharge rates gives us important insights on the mechanism of discharge as related to the dissolution and passivation events. In conclusion, this work sets the stage for reimagining the design of lead batteries with implications to grid storage applications.

25 ENERGY STORAGE↗
DOE OSTI2020

Reaction Profiles and Kinetics for Radical–Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory

Radical-radical abstractions in hydrocarbon oxidation chemistry are disproportionation reactions that are generally exothermic with little or no barrier yet are underappreciated and poorly studied. Such challenging multireference electronic structure problems are tackled here using the recently developed state-specific multireference coupled cluster methods Mk-MRCCSD and Mk-MRCCSD(T), as well as the companion perturbation theory Mk-MRPT2 and the established MRCISD, MRCISD+Q, and CASPT2 approaches. Reaction paths are investigated for five prototypes involving radical-radical hydrogen abstraction: H + BeH → H 2 + Be, H + NH 2 → H 2 + NH, CH 3 + C 2 H 5 → CH 4 + C 2 H 4 , H + C2H 5 → H 2 + C 2 H 4 , and H + HCO → H 2 + CO. Full configuration interaction (FCI) benchmark computations for the H + BeH, H + NH 2 , and H + HCO reactions prove that Mk-MRCCSD(T) provides superior accuracy for the interaction energies in the entrance channel, with mean absolute errors less than 0.3 kcal mol(-1) and percentage deviations less than 10% over the fragment separations of relevance to kinetics. To facilitate combustion studies, energetics for the CH 3 + C 2 H 5 , H + C 2 H 5 , and H + HCO reactions were computed at each level of theory with correlation-consistent basis sets (cc-pVXZ, X = T, Q 5) and extrapolated to the complete basis set (CBS) limit. These CBS energies were coupled with CASPT2 projected vibrational frequencies along a minimum energy path to obtain rate constants for these three reactions. The rigorous Mk-MRCCSD(T)/CBS results demonstrate unequivocally that these three reactions proceed with no barrier in the entrance channel, contrary to some earlier predictions. Mk-MRCCSD(T) also reveals that the economical CASPT2 method performs well for large interfragment separations but may deteriorate substantially at shorter distances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Exploring the Impacts of Conditioning on Proton Exchange Membrane Electrolyzers by In Situ Visualization and Electrochemistry Characterization

For a proton exchange membrane electrolyzer cell (PEMEC), conditioning is an essential process to enhance its performance, reproducibility, and economic efficiency. To get more insights into conditioning, a PEMEC with Ir-coated gas diffusion electrode (IrGDE) was investigated by electrochemistry and in situ visualization characterization techniques. The changes of polarization curves, electrochemical impedance spectra (EIS), and bubble dynamics before and after conditioning are analyzed. The polarization curves show that the cell efficiency increased by 9.15% at 0.4 A/cm 2 , and the EIS and Tafel slope results indicate that both the ohmic and activation overpotential losses decrease after conditioning. The visualization of bubble formation unveils that the number of bubble sites increased greatly from 14 to 29 per pore after conditioning, at the same voltage of 1.6 V. Under the same current density of 0.2 A/cm 2 ; the average bubble detachment size decreased obviously from 35 to 25 µm. Furthermore, the electrochemistry and visualization characterization results jointly unveiled the increase of reaction sites and the surface oxidation on the IrGDE during conditioning, which provides more insights into the conditioning and benefits for the future GDE design and optimization.

08 HYDROGEN↗
DOE OSTI2023

Challenges and Roadmap for Solar-Thermal Desalination

Decarbonizing desalination systems requires combining renewable energy technologies with desalination systems. Solar thermal desalination, which combines a thermal desalination system (e.g., distillation, multistage flash, etc.) with a concentrated solar system is attractive in geographic regions with an abundance of saline water and solar energy. However, the high economic cost and low efficiency limits its adoption. This review provides an overview of the techno-economic, materials, and performance challenges that need to be overcome to realize solar-desalination. The review describes the four most prominent pathways for overcoming thermodynamic and cost limitations present in current systems. Specifically, methodologies and approaches such as direct solar evaporation structures, low-cost thermal energy storage, solar cogeneration schemes for power and desalination, and solar hybrid desalination are discussed. Furthermore, these strategies can enable solar thermal desalination technologies that are resilient to intermittent solar energy.

14 SOLAR ENERGY↗
DOE OSTI2026

Capture, storage, and re-use of liquid hydrogen boil-off for aviation and aerospace applications

Despite major interest in the use of liquid hydrogen as a fuel for aviation and aerospace sectors, loss of hydrogen through boil-off continues to be a hurdle as it causes financial loss, indirect greenhouse gas emissions, and safety concerns. Herein, we perform techno-economic analysis, calibrated with experimental measurements, to assess the use of sorbents to capture and condition hydrogen boil-off events in the range of 1.5 to 70 tonnes per day at launch sites and airports. We evaluate the direct delivery of captured boil-off to combustion engines and fuel cells, comparing against boil-off re-liquification and compression. Results indicate probable cost-effectiveness at delivered liquid hydrogen prices above 0.9 U.S. dollar ($) per kg H2 at airports, and above 10 $ per kg H2 at launch sites where 10% or more of hydrogen is lost to boil-off.

08 HYDROGEN↗
DOE OSTI2022

Pathways to a net-zero-carbon water sector through energy-extracting wastewater technologies

The energy-consuming and carbon-intensive wastewater treatment plants could become significant energy producers and recycled organic and metallic material generators, thereby contributing to broad sustainable development goals, the circular economy, and the water-energy-sanitation-food-carbon nexus. This review provides an overview of the waste(water)-based energy-extracting technologies, their engineering performance, techno-economic feasibility, and environmental benefits. Here, we propose four crucial strategies to achieve net-zero carbon along with energy sufficiency in the water sector, including (1) improvement in process energy efficiency; (2) maximizing on-site renewable capacities and biogas upgrading; (3) harvesting energy from treated effluent; (4) a new paradigm for decentralized water-energy supply units.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Physiological Controls on Carbon Fluxes and Biomass Production in Miscanthus: Insights From a Process‐Based Agroecosystem Model

Biomass crops serve as essential feedstocks for renewable energy and bioproducts and play a critical role in achieving lower emissions in the transportation sector. However, dedicated perennial biomass crops such as Miscanthus × giganteus (Miscanthus) remain underrepresented in process-based agroecosystem models, limiting robust evaluation of their economic and environmental performance. In this study, we developed a data-constrained representation of the sterile triploid Miscanthus (IL clone) within the process-based model ecosys, integrating global sensitivity analysis, ensemble simulation, and parameter calibration. Planting, harvesting, and fertilization practices consistent with field management were incorporated, and phenology was constrained using PhenoCam-derived Green Chromatic Coordinate (GCC) data. Using the Morris global sensitivity analysis method, we identified 11 key physiological parameters governing plant carbon, water, and nutrient relations, particularly processes associated with CO 2 assimilation. We then conducted ensemble simulations by perturbing these parameters and calibrated the model against eddy covariance fluxes and field-measured biomass. Building on the calibrated operating state, parameter-response analyses show that different photosynthetic processes influence productivity in different ways. Protein allocation determines whether productivity increases toward a higher level, whereas electron transport capacity controls additional gains once protein allocation approaches saturation. These findings demonstrate that parameter importance depends on physiological context and on which photosynthetic processes remain limiting. Calibration and validation against observations show that ecosys can reliably reproduce carbon and water fluxes, as well as both above- and belowground biomass, with post-calibration GPP R 2 improving from 0.67 to 0.95 during the calibration period and remaining high during validation (R 2 = 0.95). These results provide a mechanistic foundation for regional simulations and sustainable bioenergy assessments.

ecosys↗
DOE OSTI2025

BEST USE OF BIOMASS

SF-25-046 Biomass resources are widely available in United States, however to utilize the resources we need to assess the bioenergy pathways per their economic and environmental performance. The framework combines several developments in the research field and integrates into a software easy to use and expand upon to study various bioenergy pathways.The software code is developed in Python language and works with an Excel based dashboard.

Saurajyoti, Kar [Argonne National Laboratory (ANL)↗
DOE OSTI2026

Data for Physiological Controls on Carbon Fluxes and Biomass Production in Miscanthus: Insights From a Process- Based Agroecosystem Model

Biomass crops serve as essential feedstocks for renewable energy and bioproducts and play a critical role in achieving lower emissions in the transportation sector. However, dedicated perennial biomass crops such as Miscanthus × giganteus (Miscanthus) remain underrepresented in process- based agroecosystem models, limiting robust evaluation of their economic and environmental performance. In this study, we developed a data- constrained representation of the sterile triploid Miscanthus (IL clone) within the process- based model ecosys, integrating global sensitivity analysis, ensemble simulation, and parameter calibration. Planting, harvesting, and fertilization practices consistent with field management were incorporated, and phenology was constrained using PhenoCam- derived Green Chromatic Coordinate (GCC) data. Using the Morris global sensitivity analysis method, we identified 11 key physiological parameters governing plant carbon, water, and nutrient relations, particularly processes associated with CO2 assimilation. We then conducted ensemble simulations by perturbing these parameters and calibrated the model against eddy covariance fluxes and field- measured biomass. Building on the calibrated operating state, parameter- response analyses show that different photosynthetic processes influence productivity in different ways. Protein allocation determines whether productivity increases toward a higher level, whereas electron transport capacity controls additional gains once protein allocation approaches saturation. These findings demonstrate that parameter importance depends on physiological context and on which photosynthetic processes remain limiting. Calibration and validation against observations show that ecosys can reliably reproduce carbon and water fluxes, as well as both above- and belowground biomass, with post- calibration GPP R2 improving from 0.67 to 0.95 during the calibration period and remaining high during validation (R2 = 0.95). These results provide a mechanistic foundation for regional simulations and sustainable bioenergy assessments.

Carbon↗
DOE OSTI2020

At-source Recovery of Rare Earth Elements from Coal Mine Drainage

Conventional acid mine drainage (AMD) treatment consists of pH adjustment, oxidation, and separation of solid precipitates from discharge quality water. Alkaline addition increases the pH to the range 7 to 9 to precipitate the regulated metals Al and Mn ions as hydroxides. Mechanical or chemical oxidation then converts the reduced iron species Fe 2+ to Fe 3+ which precipitates at a low pH value as ferric hydroxide (Fe(OH) 3 ). Co-precipitation of Rare Earth Elements (REEs) with hydroxides creates a gangue-rich matrix from which REEs must be separated. Fe(OH)3 is generally the most abundant gangue-forming metal. Current research by the project team has shown raw, untreated AMD has an average total rare earth element content (TREE) of about 287 μg/L (0.287 ppm). Operators of AMD-producing facilities are obliged to treat it to neutralize acidity and remove regulated metals (e.g., iron (Fe), aluminum (Al), and manganese (Mn)) prior to discharge. Ongoing research indicates conventional AMD treatment concentrates TREE in resulting precipitates (AMD sludge) by an average factor of 2,635x to an average dry weight, elemental concentration of 708 g/t (ppm). While the economics of recovering REEs from AMD sludge are appealing, much of the cost of REE recovery would be incurred during separation of REEs from the gangue metals: Fe, Al, and Mn. Significant gains can be made by precipitating REEs when most of these gangue metals are still in solution. Significant improvements in REE extraction efficiency can be obtained through separation of REEs from the aqueous phase AMD, upstream of conventional AMD treatment by: 1) creating an enriched REE feedstock, 2) producing a more consistent feedstock, 3) reducing transportation costs to an REE refinery, 4) reducing acid consumption in the acid leaching step, and 5) reducing the volume of waste produced at the ALSX plant. This project is exploring two novel approaches for extracting REEs upstream of the conventional AMD treatment plants to create a purified REE feedstock while leaving the bulk of the Fe, Al, and Mn in solution for subsequent treatment. While the average TREE concentration of raw AMD is low and individual sites range between 10 and 2,200 μg/L, successful at-source REE separation will generate a superior feedstock to a conventional ALSX process and significantly improve the economics and environmental performance of REE extraction from AMD. AMD can be classified into two types: type A is net acid and iron is partly oxidized while type B is net alkaline, and iron occurs in the reduced, ferrous state. In Case A, the pH is raised slightly, which will precipitate Fe 3+ and Al 3+ but not REEs. The other important type of AMD is net alkaline water found in flooded, anoxic deep mines. These generally have a pH > 6.0 and are net alkaline. REE concentrations are also much lower than those found in acidic AMD while the volumes and flux are much higher. Most of these are pumped discharges with almost no Al. Case B AMD is strongly reduced and, like Case A water, Fe and Mn ions are similarly reduced and therefore soluble at pH <9.0. REEs and an array of transition ions will be the only trivalent cations in this type of AMD. In Case B, both upward pH adjustment under reducing conditions and application of an electrochemically stimulated supported liquid membrane strategy to separate REEs from ferrous ion will be explored.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Foundations of an Electric Mobility Strategy for the City of Mexicali

The Foundations of an Electric Mobility Strategy for the city of Mexicali aligns with numerous energy, environmental, and transport plans and will help Mexicali meet multiple related goals. Mexicali’s energy mix, with 28% renewables, already enables plugin electric vehicles (PEVs) to reduce the mass of greenhouse gases (GHGs) per km driven 2/3 below that of their conventional counterparts. This GHG benefit will increase should Mexicali take steps to further increase their share of renewables in their electricity supply. Beyond increasing renewables, Mexicali could possibly deploy PEVs so that electric load is added in the right location (depending on further analysis of substations and feeders) and at the right time (between 21:00 and 11:00) in order to minimize grid upgrade costs. There are a handful of charge timing control mechanisms –at various stages of development– that Mexicali could implement. Transport electrification can facilitate mass transit by powering buses, trains, and small vehicles that get people from their homes or work to the transit stations and vice versa. Mexicali could utilize fleets as early PEV adopters in order to gain acceptance and add electric vehicle supply equipment (EVSE). Recommended prioritization of different types of fleets are suggested in this report: transit buses, school buses, airport ground support equipment (GSE), refuse trucks, taxis, shuttle buses, campus vehicles, delivery trucks, utility trucks, and finally semitrailers. There are a handful of policy options that Mexicali could use to incentivize fleets to purchase PEVs, including mandates, economic incentives, energy performance contracts, waivers to access restrictions, electricity discounts, and EVSE requirements in building codes. Mexicali’s taxi fleet was an early adopter of PEVs and had experienced some challenges—mostly related to the insufficient range of the taxis due to hot weather. In this report, we strategize ways to extend the range of the current electric taxis, including ways to make charging more convenient to the drivers, and more suggestions for appropriate vehicles to purchase in the future. This report also includes the groundwork of geotracking Mexicali’s taxi fleet so that more detailed recommendations can be made in the future. Once fleets have increased PEV acceptance and EVSE installations, the market will be ready to expand to private vehicle owners. In order to do this, more EVSE needs to be installed in the right locations. This mobility strategy lays out general local areas where EVSE could be well utilized, based on traffic patterns, land use, and demographic data. Mexicali could approach businesses within these areas that would likely make suitable hosts, based on how well they can profit from the additional business that EVSE would bring. Mexicali could then adopt a series of purchase incentives (including sales tax waivers or access to high-occupancy vehicles [HOV] lanes) that would encourage private vehicle owners to purchase PEVs. Purchase incentives run the risk of creating equity issues, which can be countered by promoting electrification in mass transit, creating more HOV lanes that have PEV exemptions, and installing EVSEs in underserved communities. Private PEV ownership will require a set of experts that Mexicali can help train, including PEV repair technicians, EVSE installation electricians, and first responders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

2021 Summer Resource Adequacy in the ERCOT Region

This report is an update to the NETL report on the same topic that examined the potential system performance of the Electric Reliability Council of Texas (ERCOT) system during the summer of 2020. Anticipated reserve margins in ERCOT have risen year-over-year from the 10.7 percent reported in ERCOT’s Final Seasonal Assessment of Resource Adequacy (SARA) for Summer 2020 to 15.7 percent for Summer 2021 in ERCOT’s Capacity, Demand and Reserves [CDR] report published in December 2020 and 2021 Summer Preliminary SARA published in March 2021. Using data from ERCOT’s 2021 Summer SARA, CDR, and historical performance data, six economic dispatch scenarios using PROMOD were developed to assess the risk to ERCOT of a load shedding event for Summer 2021. The results suggest that ERCOT could make it through the summer season without a loss of load event, as long as the weather remains normal. However, through a combination of scenarios, including increased demand, increased forced outages, and low wind output, ERCOT is likely to find itself operating in emergency conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

GT Flex: A Coordinated Multi-Building Pilot Study

Buildings are a significant and untapped resource for providing utility electric grid services. Recent studies have estimated that buildings could reduce the peak demand on the electric grid in the U.S. by almost 25% through effective combinations of energy efficiency (EE) measures and load flexibility strategies (Langevin et al. 2021). The U.S. Department of Energy (DOE) has established a goal to triple energy efficiency and demand flexibility in both residential and commercial sections by 2030 compared to 2020 levels (Satchwell et al. 2021). Such findings place buildings alongside electric vehicles, photovoltaics, electric batteries, and other distributed energy resources (DERs) as primary technologies needed for supporting high renewable energy generation grids. Coordinating and optimizing multiple buildings and other DERs is more beneficial and valuable when compared with individual buildings and DERs operating as siloed resources, uncoordinated with others (Olgyay et al. 2020). A pilot study at the Georgia Institute of Technology (GIT) was conducted to evaluate value propositions of a multi-building scale project seeking carbon reduction, energy efficiency and grid-interactive capabilities, by demonstrating the means by which stakeholders can determine the technical and financial merits of grid-interactivity and energy efficiency technologies coordinated across multiple assets. The study focused on analyzing technical feasibility of deploying thermal load flexibility strategies at the multi-building scale, coordinated to not exceed existing infrastructure constraints at the pilot site. Results show that campus can provide 3-3.5 MW of potential load shed over a 4-hour event window through coordinated dispatch of thermal cooling load flexibility without exceeding existing infrastructure capacities. Under future high renewable scenarios, this thermal flexibility resource is also valuable when coordinated to reduce curtailment of intermittent renewables. Economic analyses were performed to effectively communicate various value propositions of grid-interactive and efficient building (GEB) thermal flexibility strategies. Load flexibility presents a financial value proposition to the campus today. By conducting rationalized, coordinated dispatch in response to real time price (RTP) fluctuations, the campus can benefit materially from daily price arbitrage. The RTP signal acts as an aggregating mechanism between the utility and customer to call on demand flexibility resources, with a large portion of the benefit deriving from a relatively small number of days. Realizing and maximizing this benefit with thermal load flexibility requires careful attention to the timing of pricing signals and parameterization of dispatch to overcome efficiency penalties. Grid value and signals are expected to evolve over time, and thermal load flexibility shows potential to adapt dispatch logic to support intermittent renewable generation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗