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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Geochemical and Microbial Dynamics of Hydrogen in a Methane Storage Reservoir

Hydrogen has been identified as a flexible energy carrier with zero or negative emission across multiple energy systems, and existing natural gas infrastructure could be leveraged if hydrogen gas (H2) was blended with methane (CH4). For example, subsurface methane storage reservoirs could be slightly modified to also store hydrogen if a methane/hydrogen blend were injected. However, the compatibility of methane storage reservoirs to include H2 injection has not been fully demonstrated, and this could lead to geochemical and microbiological reactions that alter the reservoir and stored gas content. It is essential that we understand the impact of H2 gas on the biogeochemistry of subsurface storage reservoirs before deploying large-scale H2-CH4 storage, We collected produced fluid from two separate methane storage reservoirs in the Southwestern US. First, we completed a baseline analysis of the biogeochemistry through qPCR, 16S rRNA sequencing, metagenomic sequencing, and geochemical analysis. Each reservoir was found to have unique geochemical conditions and a unique microbial community structure, with Site 1 having a higher TDS and an abundance of Shewanella and Site 2 having a lower TDS and high abundance of Eubacterium and Acetobacterium. Next, we ran a series of high pressure, high temperature reactors under hydrogen storage conditions with the biological sample from one of the storage reservoirs and a 20% H2-80% CH4 gas blend for up to 7 days. Our results show a decrease of hydrogen by 5% in reactors as early as 1-3 days. Previous hydrogen storage work has linked subsurface microorganisms with methanogenesis hydrogen sulfide production, acid production, and microbial corrosion. Our results show minimal change in the fluid chemistry, with the exception of a decrease in dissolved sulfate concentrations. Taxonomic sequencing demonstrated the presence of microorganisms capable of iron redox, acid generation, and hydrogen sulfide production throughout the reactors, suggesting microbial hydrogen consumption may occur through various metabolic pathways. This work demonstrates that site-specific geochemistry and microbiology may impact the efficiency of hydrogen storage in methane storage reservoirs.

environmental microbiology↗
DOE OSTI2024

Stabilization of Catalytically Active Surface Defects on Ga-doped La–Sr–Mn Perovskites for Improved Solar Thermochemical Generation of Hydrogen

Solar thermochemical hydrogen (STCH) production from water splitting typically requires performing redox cycles at temperatures above 1200 °C to reduce and re-oxidize the bulk of a reversible material. Bulk processes such as oxygen vacancy formation and oxygen diffusion energies dictate the viability of a material for STCH. The surface plays an important role in the formation and destruction of vacancies and interacts with gas phase water and surface adsorbed species. These surface processes can lead to surface reconfigurations and even the formation of surface phases with stoichiometry and oxygen content very different from the bulk composition. Understanding in-situ the surface chemical state and its evolution under water splitting is important to design nonstoichiometric oxides capable of longer-lasting STCH generation at lower temperatures. In this work, we describe the water splitting active defect sites in LSM ((La 0.65 Sr 0.35 ) 0.95 MnO 3–δ ) and Ga-doped LSM ((La 0.6 Sr 0.4 ) 0.95 (Mn 0.8 Ga 0.2 )O 3–δ ) perovskites during Operando thermochemical water splitting conditions using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) experiments at 800 °C under steam. We show that sub-stoichiometric La +3 in the oxygen-vacancy rich surface at operating conditions can be used to correlate surface water splitting activity and the creation of surface hydroxide intermediates. The addition of Ga in LSM is shown to drastically stabilize the surface chemical composition by preventing Sr segregation and stabilizing catalytically active surface defects that promote the binding of adsorbed hydroxides. Here, we use Operando AP-XPS quantification of metastable surface hydroxide intermediates (La(OH) 3 ) to determine the amount of catalytically active surface sites in LSM (2.9%) and in LSMG (7.8–8.1%, depending on the bulk oxidation state).

08 HYDROGEN↗
DOE OSTI2020

Hydrogen and Solid Carbon Products from Natural Gas: A Review of Process Requirements, Current Technologies, Market Analysis, and Preliminary Techno Economic Assessment

In this paper, we review relevant technologies—primarily thermochemical and plasma conversion processes—that use natural gas to produce solid carbon and hydrogen, and recent research progress and commercial activities. Technical challenges include the high energetic requirements necessary for methane activation and, for some catalytic processes, the separation of solid carbon product from the spent catalyst. We assess current and new carbon product markets that could be served given technological advances, and we discuss technical barriers and potential areas of research to address these needs. We provide preliminary economic analysis where it was concluded that the cost of pyrolytically produced CO2-free hydrogen can be potentially reduced to <$4/kg target levels with the co-production and sale of sufficiently high-value carbon products.

Dagle, Robert A.↗
DOE OSTI2023

Optimizing Renewable Ammonia Production for a Sustainable Fertilizer Supply Chain Transition

Local renewable ammonia production using electrolytic hydrogen is an emerging approach to alleviate emissions attributed to synthetic nitrogen fertilizer production while also insulating against fluctuations in fertilizer prices and mitigating transportation costs and emissions. However, replacing ammonia currently produced using fossil fuels will not be immediate. To this end, we develop a supply chain transition model, which first optimizes the design and hourly operation of new renewable ammonia facilities to minimize production costs and then optimizes the annual installation timing, production scale, and location of these new renewable facilities along with ammonia transportation to meet county resolution demands. The objective is to augment and eventually replace conventional ammonia market imports in an economically competitive manner. We performed a case study for Minnesota's ammonia supply chain and found that a full transition to in-state renewable production by 2032 is optimal. This is incentivized by the U.S. federal government's clean hydrogen production credits. This transition results in 99 % reduction in carbon intensity along with stable supply costs below $475 per metric tonne. New renewable production facilities are an order of magnitude smaller than existing conventional plants. They use both wind and solar resources and operate dynamically to minimize expensive battery and hydrogen storage capacities.

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

Abstract for CRADA between National Energy Technology Laboratory and ClearSign Technologies Corporation

The National Energy Technology Laboratory (NETL) and ClearSign Technologies Corporation (Participant) will collaborate in the development of a preliminary LCA for the scaling of a hydrogen burner product currently in proof of concept and primarily developed for chemicals processing at refineries. The current combustion product has been tested at 80% hydrogen content (20% natural gas) and maintains the NOx 97% improvement vs incumbent technologies, yet the GHG emissions of the product and use case in refining to chemicals processing would be the focus of this preliminary LCA. The Participant has noted areas where they expect environmental improvements relative to alternatives, but these improvements have not been quantified to date. The collaboration will facilitate characterizing the emissions improvement comparative to some selected incumbent technologies during the deployment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - Simulated Wave

The U.S. Department of Energy and the National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence (AI) data centers and other variable loads. This dataset entry describes hydrogen production using a single, simulated wave energy conversion device. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel Hydrogen. While the unit supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack. For the wave energy, NLR used a wave energy converter model from PacWave. These devices can be equipped with accumulators and pressure relief values to smooth the power output by storing and releasing hydraulic energy. Using a peak power output of 10 MW, the model created two 25-minute profiles: one with and one without the accumulators and pressure relief valves. To down select the profile data from the native resolution of 20 Hz to 1 Hz, NLR took the mean of every 20 data points. NLR experimented with two simulated wave energy power plants: one that peaks at 10 MW, and one that peaks at 5 MW. These profiles were scaled for the physical 1.25 MW electrolyzer by multiplying the original profiles by one eighth and one quarter, respectively. The first profile matches the capacity rating of eight of the 1.25 MW electrolyzers, while the second matches four electrolyzers. Finally, NLR experimented with two settings for the electrolyzer power supply minimum and maximum current ramp rates (gain and slew): 200 and 400 amperes per second. The simulated profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz frequency. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single wave electrolysis experiment and is formatted as follows: {technology}-{accumulator?}_{number of 1.25 MW electrolyzers connected}-{electrolyzer ramp rate in amperes/second} For instance, “wavePacWave-Noacc_4-400.zip” represents the 25 minute-long experiment using the PacWave’s wave energy converter model, equipped with no accumulator, connected to four 1.25-MW electrolyzers with their power supplies set to a maximum current ramp rate (gain and slew) of 400 A/s. Each .zip folder contains the following files: A .csv file containing raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production in kilograms per hour, electrolysis power consumption, and input wave power. An experiment, labeled “characterization_200.zip”, demonstrates the MC250 electrolyzer steady-state response with 30 minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all wave profiles combined into one dataset labeled "combined_wave_experiments.csv". NLR also built an AI/machine-learning predictive model based on these datasets. The model ingests the electrolyzer current command in amperes, as well as various pressures and temperatures across the system, and predicts hydrogen output in kilograms per hour. The complete model can be found at https://huggingface.co/NatLabRockies/ptmelt-hydrogen-electrolysis.

08 HYDROGEN↗
DOE OSTI2024

Hydrogen-Steam Separation Using Mechanical Vapor Recompression Cycle

Solar thermochemical hydrogen and fuel production is a promising pathways for producing sustainable fuels and chemicals. One of the main challenges in the development of these systems is their low steam conversion extent, dictated by its restrictive thermodynamics requiring extremely high temperatures and low oxygen partial pressure to obtain conversions over 10 \%. While condensing the unreacted steam is technically simple, the latent heat is thus lost, which can be larger than the producd hydrogen higher heating value. We propose to use a modified mechanical vapor recompression cycle, allowing to recover the latent heat by compressing the steam-hydrogen mixture prior to the condensation process, thus creating a temperature different between the hot exhaust and cold inlet streams. We show that this method can recover over 90 % of the latent heat, thus increasing the viability of solar thermochemical hydrogen production cycles even under limited conversion conditions.

hydrogen technology↗
DOE OSTI2023

HydroGEN Overview: A Consortium on Advanced Water Splitting Materials

HydroGEN is a multi-lab consortium focused on early-stage R&D in H2 production, supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO). The consortium advances research and development (R&D) of innovative materials for advanced water splitting (AWS) technologies to enable clean, sustainable and low-cost ($1/kg H2) hydrogen production and fosters cross-cutting innovation using theory-guided applied materials R&D to advance all emerging water-splitting pathways for hydrogen production. HydroGEN is focused on low technology readiness level AWS technologies, including low- (alkaline exchanged membrane electrolysis) and high-temperature electrolysis (proton-conducting solid oxide electrolysis), photoelectrochecmical (PEC) and solar thermochemical (STCH) water splitting. This presentation will provide an overview of the HydroGEN EMN and technical highlights of a few lab-led and FOA-awarded R&D projects. HydroGEN continues to grow its community of industry, university, and national laboratories, forming a national innovation ecosystem focused on renewable hydrogen production.

advanced water splitting materials↗
DOE OSTI2020

Research Requirements to Move the Bar forward Using Aqueous Formate Salts as H 2 Carriers for Energy Storage Applications

In this perspective on hydrogen carriers, we focus on the needs for the development of robust active catalysts for the release of H 2 from aqueous formate solutions, which are non-flammable, non-toxic, thermally stable, and readily available at large scales at reasonable cost. Formate salts can be stockpiled in the solid state or dissolved in water for long term storage and transport using existing infrastructure. Furthermore, formate salts are readily regenerated at moderate pressures using the same catalyst as for the H 2 release. There have been several studies focused on increasing the activity of catalysts to release H 2 at moderate temperatures, i.e., < 80 °C, below the operating temperature of a proton exchange membrane (PEM) fuel cell. One significant challenge to enable the use of aqueous formate salts as hydrogen carriers is the deactivation of the catalyst under operating conditions. In this work we provide a review of the most efficient heterogeneous catalysts that have been described in the literature, their proposed modes of deactivation, and the strategies reported to reactivate them. We discuss potential pathways that may lead to deactivation and strategies to mitigate it in a variety of H 2 carrier applications. We also provide an example of a potential use case employing formate salts solutions using a fixed bed reactor for seasonal storage of energy for a microgrid application.

25 ENERGY STORAGE↗
DOE OSTI2022

Development of a universal method for high yield of furfural and hydrogen from raw lignocellulosic biomass

In order to develop a universal method for the co-production of furfural and hydrogen from raw lignocellulosic biomass, three types of substrates (maple wood, wheat straw, and tall fescue) were investigated, integrating chemical and electrochemical technologies. The results show both furfural and pure hydrogen were produced from all the biomass substrates, and the substrate type, composition, concentration, and size all affected furfural and hydrogen production. The highest furfural production of 154 mg g -1 substrate was achieved from wheat straw. The highest conversion rate of 67% for the waste furfural residue was realized, and 335 ml pure hydrogen per gram of furfural residue with a Faradaic efficiency of 99.3% was obtained with a new electrolytic cell. A reaction mechanism for hydrogen evolution from furfural residue and a rule for co-production of furfural and hydrogen from raw biomass were proposed. The facts show that a promising universal method for the co-production of furfural and hydrogen from lignocellulosic biomass has been developed.

08 HYDROGEN↗
DOE OSTI2024

The role of the iron and steel sector in achieving net zero U.S. CO 2 emissions by 2050

The U.S. steel sector is a hard-to-abate sector because of its heavy dependence on fossil fuels and its high capital requirements. In 2015, the sector was one of the major carbon emitters, contributing 10 % of the U.S. industrial CO 2 emissions. The ability to decarbonize the U.S. iron and steel sector directly affects the ability of the U.S. to achieve economy-wide net zero CO 2 by 2050. In this paper, we use the Global Change Analysis Model (GCAM) to analyze different U.S. steel sector decarbonization pathways under varying technology, policy, and demand futures. These pathways provide insights on how various low-carbon steelmaking technologies such as those using carbon capture and storage (CCS), hydrogen, or scrap could help reduce U.S. steel emissions by mid-century. In our primary decarbonization pathway, we find that nearly all of the conventional fossil-based steelmaking capacity is fully integrated with CCS by 2050. However, without CCS availability, almost all of the conventional fossil-based steelmaking is phased-out by 2050 and is replaced by hydrogen-based production. Scrap-based production continues to remain vital across both of these decarbonization pathways. Furthermore, we find that demand reduction could help reduce the required levels of CCS and hydrogen-based production in the decarbonization pathways. Implementation of advanced energy efficiency measures could help substantially reduce the sector's energy usage. Finally, we observe that addressing the embodied carbon transfer associated with steel imports will be crucial for fully decarbonizing the U.S. steel sector.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - NLR Historical Solar PV

The U.S. Department of Energy and National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis from variable sources, hydrogen compression and storage, and hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) research platform. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence data centers and other variable loads. This dataset entry describes the behavior of a 1.25-MW proton exchange membrane MC250 electrolyzer system, manufactured by Nel Hydrogen , [1] when fed historical data generated by the 430-kW, fixed-axis solar photovoltaic (PV) array located at NLR’s Flatirons Campus. (While the electrolyzer balance of plant supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack.) Solar PV power output data for the 2020 calendar year were categorized on a daily basis by total energy generation and standard deviation. Each day was then ranked by these metrics, and the 25th, 50th, and 100th percentiles were selected. The 75th percentile day did not exhibit sufficient variability to make for a valuable experiment. A similar process was used for the related historical wind dataset . [2] The historical days in 2020 that represented these percentiles are Dec. 19, March 29, and May 4, respectively. The entire solar day’s power profile was then fed through the MC250 electrolyzer. Due to its length, the 100th percentile day experiment was split into two parts, and the final 3 hours of the solar day were not captured. These final 3 hours contained no spikes or dips of interest and simply represented a slow decay of input solar power. Also, a single timestamp (13:13:47 on Jan. 14, 2026) was lost in the hydrogen system supervisory control and data acquisition. Finally, during the 25th percentile experiment (solar day Dec. 19, 2020) data recording was lost from 11:00:13 to 11:14:45. The roughly 15 minutes of the solar profile were rerun at the end of the experiment and spliced into this time slot during post-processing. The electrolysis system controls hydrogen production by varying direct current applied to the stack, from a maximum of 3,000 A to a minimum safe operation of 300 A, or 10%. Because the current–voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The historical solar profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz frequency. For more details on the statistical analysis process, see the slide deck “Public Reference Data for Megawatt-Scale Hydrogen Electrolysis: NLR Historical Solar PV Analysis and Profile Generation” accessible with this data entry. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single solar PV electrolysis experiment and is formatted as: {technology}_{percentile}_{scaling factor} For instance, “solarPV-430kW_25_2x.zip” reports the experiment using the 25th percentile solar data from the historical 2020 solar PV dataset, scaled to 200%. Scaling factors were applied to the generated solar PV power output files to more closely match the 1.25-MW capacity of the electrolyzer. Each .zip folder contains the following files: A .csv file containing raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production, electrolysis power consumption, and solar power input. A PDF file detailing the historical solar data statistical analysis used to generate the solar profile. An experiment labeled “characterization_200.zip” demonstrates the MC250 electrolyzer steady-state response with 30-minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all experiments combined into one dataset labeled "combined_solarPV_experiments.csv". [1] nelhydrogen.com/product/mc-series-electrolyser . [2] data.nlr.gov/submissions/316 .

08 HYDROGEN↗
DOE OSTI2022

Co-production of Clean and Low Cost Hydrogen and Other Commodity Chemicals (CRADA Final Report)

We worked on the production of hydrogen and sulfuric acid electrochemically. We did this by building an electrolyzer and performing techno-economic analysis for which we published a paper (documented above). We also performed many leaching reactions with acid similar to the acid that we would have produced. We found that it was not commercially viable to cogenerate hydrogen and sulfuric acid because the technical problems would take too long to solve under the constraints of venture capital.

08 HYDROGEN↗
DOE OSTI2021

High-efficiency oxygen reduction to hydrogen peroxide catalyzed by oxidized carbon materials

Improved electrochemical production of hydrogen peroxide is provided with a surface-oxidized carbon catalyst. The carbon can be, for example, carbon black or carbon nanotubes. The oxidation of the carbon can be performed, for example, by heating the carbon in nitric acid, or by heating the carbon in a base. The resulting carbon catalyst can have a distinctive oxygen is peak in its X-ray photoelectron spectrum.

Cui, Yi↗
DOE OSTI2022

The Microbial Community and Functional Potential in the Midland Basin Reveal a Community Dominated by Both Thiosulfate and Sulfate-Reducing Microorganisms

The Permian Basin is the highest producing oil and gas reservoir in the United States. Hydrocarbon resources in this region are often accessed by unconventional extraction methods, including horizontal drilling and hydraulic fracturing. Despite the importance of the Permian Basin, there is no publicly available microbiological data from this region. We completed an analysis of Permian produced water samples to understand the dynamics present in hydraulically fractured wells in this region. We analyzed produced water samples taken from 10 wells in the Permian region of the Midland Basin using geochemical measurements, 16S rRNA gene sequencing, and metagenomic sequencing. Compared to other regions, we found that Permian Basin produced water was characterized by higher sulfate and lower total dissolved solids (TDS) concentrations, with a median of 1,110 mg/L and 107,000 mg/L. Additionally, geochemical measurements revealed the presence of frac hits, or interwell communication events where an established well is affected by the pumping of fracturing fluid into a new well. The occurrence of frac hits was supported by correlations between the microbiome and the geochemical parameters. Our 16S rRNA gene sequencing identified a produced water microbiome characterized by anaerobic, halophilic, and sulfur reducing taxa. Interestingly, sulfate and thiosulfate reducing taxa including Halanaerobium, Orenia, Marinobacter, and Desulfohalobium were the most prevalent microbiota in most wells. We further investigated the metabolic potential of microorganisms in the Permian Basin with metagenomic sequencing. We recovered 15 metagenome assembled genomes (MAGs) from seven different samples representing 6 unique well sites. These MAGs corroborated the high presence of sulfate and thiosulfate reducing genes across all wells, especially from key taxa including Halanaerobium and Orenia. The observed microbiome composition and metabolic capabilities in conjunction with the high sulfate concentrations demonstrate a high potential for hydrogen sulfide production in the Permian Basin. Additionally, evidence of frac hits suggests the possibility for the exchange of microbial cells and/or genetic information between wells. This exchange would increase the likelihood of hydrogen sulfide production and has implications for the oil and gas industry.

16S RNA↗
DOE OSTI2022

Evaluation of steam supply performance: Steamer vs. bubbler

Water/steam electrolysis is a key enabling technology for clean, low-carbon and sustainable production of hydrogen and will play a crucial role in future hydrogen economy. For high temperature solid oxide electrolytic cells, steam is the chemical feedstock. A stable and accurate supply of steam to solid oxide electrolytic cells is of vital importance to smooth production of hydrogen. In this study, we compare steam supply performance of two commonly used steam generators: steamer and bubbler. Our results show that bubbler with proper volume and fritted inlet gas tubing can provide more stable and accurate steam supply than steamer for laboratory use. We also provide the explanation for the unstable steam supply observed in steamer. Overall, we conclude that bubbler is generally a better choice for small-scale laboratory use (e.g., ≤50%H 2 O, ≤100 sccm carrier gas flow) to produce stable and accurate steam and steamer might be a better choice for higher steam contents and flow rates (e.g., >60% H 2 O and >200) encountered in large-scale testing and/or aggressive high steam conditions.

08 HYDROGEN↗
DOE OSTI2021

pH Homeostasis and Sodium Ion Pumping by Multiple Resistance and pH Antiporters in Pyrococcus furiosus

Multiple Resistance and pH (Mrp) antiporters are seven-subunit complexes that couple transport of ions across the membrane in response to a proton motive force (PMF) and have various physiological roles, including sodium ion sensing and pH homeostasis. The hyperthermophilic archaeon Pyrococcus furiosus contains three copies of Mrp encoding genes in its genome. Two are found as integral components of two respiratory complexes, membrane bound hydrogenase (MBH) and the membrane bound sulfane sulfur reductase (MBS) that couple redox activity to sodium translocation, while the third copy is a stand-alone Mrp. Sequence alignments show that this Mrp does not contain an energy-input (PMF) module but contains all other predicted functional Mrp domains. The P. furiosus Mrp deletion strain exhibits no significant changes in optimal pH or sodium ion concentration for growth but is more sensitive to medium acidification during growth. Cell suspension hydrogen gas production assays using the deletion strain show that this Mrp uses sodium as the coupling ion. Mrp likely maintains cytoplasmic pH by exchanging protons inside the cell for extracellular sodium ions. Deletion of the MBH sodium-translocating module demonstrates that hydrogen gas production is uncoupled from ion pumping and provides insights into the evolution of this Mrp-containing respiratory complex.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Modeling of ATR fuel in DOE Standard Canisters with Helium Backfilled Condition

Road-ready and final disposition packaging configurations for the advanced test reactor (ATR) fuel dictates storage within helium backfilled sealed DOE standard canisters. These sealed canisters are intended for extened (>50 year) dry storage). The typical packaging configuration for the 15-foot DOE canisters places 10 ATR elements within a Type 1a basket, and three baskets are loaded within each DOE canister. During in-reactor operations and cooling pond storage conditions, oxyhydroxide layers form on the surface of the aluminum clad fuel. These layers produce hydrogen gas over time due to the fuel’s radiation field. As part of the packing procedure, the ATR fuel should be dried to remove any residual physio-/chemi- sorbed water from the surface. As testing to the effectiveness of the drying procedure is still underway, this modeling will include results at fully saturated and fully dried conditions. In previous modeling efforts, the G-value for the production of hydrogen from the oxyhydroxide layers was assumed to be in argon environments as measured by Task 2 - Oxyhydroxide Layer Radiolytic Gas Generation Resolution. Previous experimental testing showed differences in the hydrogen generated based on the gaseous environment. In the associated experimental work, Task 2 - Oxyhydroxide Layer Radiolytic Gas Generation Resolution, additional tests were completed in a helium environment, and updated G-values for the radiolytic production of hydrogen from the oxyhydroxide layers were provided. These values are 28% and 58% higher than values for argon. In addition, a change to the modeling of the oxyhydroxide radiolysis has been made from previous reports. This change assumes the dependency of the dose rate on the overall reaction rate is applied to the total weight of the sample, rather than to just the weight of the oxyhydroxide layer. This decreases the dependency of the radiolytic reaction on the thickness of the oxyhydroxide layer. For a nominal scenario of stored ATR fuel, assuming the chemi-/physio- sorbed water have been fully removed, the internal canister pressure increases to 1.61 atm over a 50 year period, with a hydrogen mole percentage of 21%. As in previous modeling, any oxygen present is in negligible amounts (<1 ppt). If a small amount residual air is present, nitric acid can form up to 1300 ppm. For a scenario with high fuel decay heat, the model shows internal pressure increasing to 2.1 atm, with 39.3 mole percentage of hydrogen. In a scenario where significant chemi-/physio- sorbed water is present within the corrosion layer, the nominal scenario shows a pressure increase to 2.54 atm, with 21.1 mole percent hydrogen. The high decay heat case shows a pressure increase to 3.18 atm with 39.9 mole percent hydrogen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗