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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

CFD Study of Countercurrent Flow in Triply Periodic Minimal Surfaces with CO 2 BOL Solvent

Triply periodic minimal surfaces (TPMS) are promising structures for heat exchangers and ultrafiltration due to their high heat and mass transfer efficiency compared to traditional devices. Because of this, the TPMS structures are a potential candidate for building the multifunctional, intensified devices in CO 2 capture tasks. With the Lawrence Livermore National Laboratory’s (LLNL’s) additive manufacturing (AM) capability, these complicated TPMS structures can be printed in the packed column for experimental tests. To optimize the TPMS structure and enable fast prototyping, a computationally-efficient computational fluid dynamics (CFD) framework was established to explore the TPMS structure’s hydrodynamics and mass transfer performance. The established model was able to simulate the countercurrent flows by integrating the Pacific Northwest National Laboratory (PNNL) CO 2 binding organic liquids (CO 2 BOL) solvent into the TPMS structures. Three typical TPMS structures - namely, Gyroid, Schwarz-D, and Schwarz-P - were investigated using the periodic boundary set up in all three directions. Two different unit cell size (1 cm and 2 cm) geometries are tested for each type of TPMS. The solvent flow rate in this study covered a range of [0, 0.1] m/s with an initial liquid film thickness of [0.1, 1.8] mm. These simulations provided a preliminary understanding of the TPMS structure behaviors in countercurrent flow conditions. The study also related the TPMS geometry requirement to the given CO 2 BOL solvent physical property and covered reasonable packed column operation ranges.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Recent developments in catalyst-related PEM fuel cell durability

Cost and durability remain the two major barriers to the widespread commercialization of polymer electrolyte membrane fuel cell (PEMFC)-based power systems, especially for the most impactful but challenging fuel cell electric vehicle (FCEV) application. Commercial FCEVs are now on the road; however, their PEMFC systems do not meet the cost targets established by the U.S. Department of Energy, primarily due to the high platinum loading needed on the cathode to achieve the requisite performance and lifetime. Furthermore, while the activities of a number of commercial Pt-based alloy cathode catalysts exceed the beginning-of-life (BOL) targets, these activities, and the overall cathode performance, degrade via a variety of mechanisms described herein. Degradation is mitigated in current FCEVs by utilizing a cathode catalyst with a lower BOL activity (e.g., much lower transition metal alloy content and larger BOL nanoparticle size), necessitating higher catalyst loadings, and through the utilization of system controls that avoid conditions known to exacerbate degradation processes, such as limiting the fuel cell stack voltage range. The design and development of active and robust materials and eliminating the need for vehicle mitigation strategies would greatly simplify the operating system, allowing for greater transient operation, avoiding large hybridization, and curtailing of fuel cell power. Although system mitigation strategies have provided the near-term pathway for FCEV commercialization, material-specific solutions are required to further reduce costs and improve operability and efficiency. Future material developments should focus on stabilization of the electrode structure and minimization of the catalyst particle susceptibility to dissolution caused by oxide formation and reduction over PEMFC cathode-relevant operating potentials plus minimization of support corrosion. Ex situ accelerated stress tests have provided insight into the processes responsible for material and performance degradation and will continue to provide useful information on the relative stability of materials and benchmarks for robust and stable materials-based solutions not requiring system mitigation strategies to achieve adequate lifetime.

25 ENERGY STORAGE↗
DOE OSTI2022

Energy-effective and low-cost carbon capture from point-sources enabled by water-lean solvents

Aqueous amines, as the most mature carbon capture technology, are subject to high energy and cost penalties due to the large water content in their formulations. Emerging technologies are in demand to enable a transition to a low-carbon global economy. However, rigorous process modeling and techno-economic analyses are limited for emerging carbon capture technologies. Here, four CO 2 -Binding Organic Liquids (CO 2 BOLs), all water-lean solvents were presented as promising options towards energy-effective and low-cost carbon capture from point sources. Rigorous solvent property and process models were developed in Aspen Plus for a coal-fired power plant with CO 2 BOL-based carbon capture unit. Techno-economic analyses were conducted in 2018 US pricing basis. The results suggest that water-lean formulations can minimize water condensation and vaporization, leading to a 36% energy saving compared with aqueous amines. Indeed, these CO 2 BOLs can capture up to 97–99% CO 2 from coal fired plant. The estimated carbon capture cost is about $40/tonne CO 2 at 90–97% carbon capture rate, about 12–23% less expensive than the conventional aqueous amine technology. The comparison between these CO 2 BOLs showed that in addition to vapor liquid equilibrium and kinetics (key properties for aqueous solvents), viscosity, volatility, and hydrophobicity, also have strong impacts on the performance of water-lean solvents. The methods presented in this work can be used to evaluate other emerging carbon capture technologies, while the results linking costs and performance of carbon capture solvents with their properties. Additionally, this work identifies research directions and targets for further reductions in total costs of capture from either cost or energy perspectives for these leading water-lean solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Pt–Co truncated octahedral nanocrystals: a class of highly active and durable catalysts toward oxygen reduction

We report a facile and scalable synthesis of Pt–Co truncated octahedral nanocrystals (TONs) by employing Pt(acac) 2 and Co(acac) 2 as precursors, together with CO molecules and Mn atoms derived from the decomposition of Mn 2 (CO) 10 as a reductant and a {111} facet-directing agent, respectively. Both the composition and yield of the Pt–Co TONs could be varied through the introduction of CHCl 3 . When tested at 80 °C using membrane electrode assembly (MEA), the 4 nm Pt 2.6 Co TONs gave a mass activity of 294 A g Pt –1 at beginning-of-life (BOL) and it increased to 384 A g Pt –1 during recovery cycles. The mass activity at BOL only dropped by 24% after 30 000 voltage cycles at end-of-life (EOL) in a metal dissolution accelerated stress test. The Pt 2.6 Co/C catalyst outperformed the commercial TKK Pt 3 Co/C (230 A g Pt –1 at BOL and 40% loss after 30 000 cycles at EOL) in terms of both activity and durability. Our systematic analysis suggested that the enhancement in activity can be attributed to the combination of small, uniform size and well-defined {111} facets. This new class of catalysts holds promise for applications in proton-exchange membrane fuel cells.

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

Assessment of Amine-Based CO2BOLs for Direct Air Capture

Direct air capture (DAC) technologies extract CO 2 from the atmosphere for CO 2 storage, or utilization. Capturing CO 2 from the air is the most expensive application of carbon capture because CO 2 in the atmosphere is very dilute. There are limited number of CO 2 capture technologies for DAC application. This project aims at developing an energy efficient technology for DAC, leveraging two PNNL’s chemistries (solid and liquid CO 2 capture). Three CO 2 capture sorbents consisting of amine based CO 2 BOLs immobilized in mesoporous silica were designed, synthesized, and tested. These sorbents had ~ 19-23 wt.% amine loadings which is lower than typical amine-based silica sorbents. The surface area and pore volumes of these solid supported CO 2 BOLs are lower compared to those of the pristine silica support. The CO 2 capture performance of these materials was significantly lower than the typical silica supported amines due to low amine loading and higher molecular weight with low amine density. These results show that immobilize CO 2 BOLs in silica are not viable materials for removing CO 2 from ambient air. This project also designed, synthesized at tested liquid solvents for DAC application. Solvent properties that is vapor pressure, CO 2 uptake capacity, kinetics, and viscosity for three novel solvents were evaluated. The CO 2 uptake capacity for one of the most promising amine-based solvent BEPBEGDA was the highest at 13.2 wt% corresponding to 97 mol%. The vapor pressure of the BEPBEGDA solvents were very low at 80 °C compared to other solvents making them suitable for DAC application. The effect of humidity on the CO 2 capture performance of these solvents was evaluated which shows that presence of moisture doesn’t have a negative effect on the CO 2 uptake performance but makes it slightly better. The performances of these solvents were slightly below that of the 0.1M NaOH solution tested under similar conditions. Despite of the slightly lower CO 2 uptake, it is expected that these liquid solvents will have lower regeneration temperature and minimum evaporative losses due their low vapor pressure. Future work will focus on optimization of the liquid solvents for DAC application to improve both CO 2 capture efficiency and capacity without viscosity and vapor pressure increase. Testing of these solvents under DAC conditions using a gas liquid contactor that mimic industrial applications is needed. Solvent cost projection, techno-economic analysis and life cycle analysis are required to evaluate economic viability of this technology.

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

The Energetics of the Central Engine in the Powerful Quasar 3C 298

The compact steep-spectrum radio source 3C 298 (redshift of 1.44) has the largest 178 MHz luminosity in the Third Cambridge Revised Catalogue (3CR); its radio lobes are among the most luminous in the universe. The plasma state of the radio lobes is modeled with the aid of interferometric radio observations (in particular, the new Low Frequency Array observation and archival MERLIN data) and archival single-station data. It is estimated that the long-term time-averaged jet power required to fill these lobes with leptonic plasma is $\overline{Q}\,\approx 1.28\pm 0.51\times {10}^{47}\,\mathrm{erg}\,{{\rm{s}}}^{-1}$, rivaling the largest time-averaged jet powers from any quasar. Supporting this notion of extraordinary jet power is a 0.5–10 keV luminosity of ≈ 5.2 × 10 46 erg s –1 , comparable to luminous blazars, yet there is no other indication of strong relativistic beaming. We combine two new high signal-to-noise ratio optical spectroscopic observations from the Hobby-Eberly Telescope with archival Hubble Space Telescope, Two Micron All Sky Survey, and Galaxy Evolutionary Explorer data to compute a bolometric luminosity from the accretion flow of L bol ≈ 1.55 ± 0.15 × 10 47 erg s –1 . The ratio, $\overline{Q}/{L}_{\mathrm{bol}}\approx 1$, is the approximate upper limit for quasars. Characteristic of a large $\overline{Q}/{L}_{\mathrm{bol}}$, we find an extreme-ultraviolet (EUV) spectrum that is very steep (the "EUV deficit" of powerful radio quasars relative to radio-quiet quasars), and this weak ionizing continuum is likely a contributing factor to the relatively small equivalent widths of the broad emission lines in this quasar.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Physical Properties of Low-redshift FeLoBAL Quasars. III. The Location and Geometry of the Outflows

We present continued analysis of a sample of low-redshift iron low-ionization broad-absorption-line quasars (FeLoBALQs). Choi et al. presented SimBAL spectral analysis of broad-absorption-line (BAL) outflows in 50 objects. Leighly et al. analyzed the optical emission lines of 30 of those 50 objects and found that they are characterized by either a high accretion rate (L Bol /L Edd > 0.3) or low accretion rate (0.03 < L Bol /L Edd < 0.3). We report that the outflow velocity is inversely correlated with the BAL location among the high-accretion-rate objects, with the highest velocities observed in parsec-scale outflows. In contrast, the low-Eddington-ratio objects showed the opposite trend. We confirmed the known relationship between the outflow velocity and L Bol /L Edd and found that the scatter plausibly originates in the force multiplier (launch radius) in the low(high)-accretion-rate objects. A log volume filling factor between –6 and –4 was found in most outflows but was as high as –1 for low-velocity compact outflows. We investigated the relationship between the observed [O III ] emission and that predicted from the BAL gas. We found that these could be reconciled if the emission-line covering fraction depends on the Seyfert type and BAL location. The difference between the predicted and observed [O III ] luminosity is correlated with the outflow velocity, suggesting that [O III ] emission in high-Eddington-ratio objects may be broad and hidden under Fe ii emission. We suggest that the physical differences in the outflow properties as a function of location in the quasar and accretion rate point to different formation, acceleration, and confinement mechanisms for the two FeLoBALQ types.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Radiation effects on stress evolution and dimensional stability of large fusion energy structures

Here we assess the effects of neutron irradiation on the deformation and stress evolution of large-scale fusion energy structures. This is accomplished through non-linear finite element structural analysis of the coupled thermal and mechanical fields at the Beginning-Of-Life (BOL), at 45 dpa, and at 90 dpa. Radiation effects include volumetric swelling and the influence of radiation on the mechanical properties. The system studied here is a large section of a full inboard module of an integrated structure comprising the First Wall and Blanket (FW/B) of a Dual Cooled Lithium-Lead (DCLL) energy conversion unit in the Fusion Nuclear Science Facility (FNSF). The structural material is the ferritic/martensitic steel F82H. We analyze several radiation effects phenomena that can lead to significant impact on the mechanical design and lifetime of the structure. These include volumetric swelling effects on the assembly and disassembly of modules and the impact of spatial gradients in neutron damage and helium generation on deformation, stress evolution, and plastic strain accumulation. We show that the stress state is strongly influenced by the accumulation of swelling strains, radiation hardening and softening, and by spatial gradients in displacement damage and helium gas generation. Several key regions in the FW/B structure are identified where severe plastic strains accumulate and may be potential sites for failure, especially during cyclic reactor operations. We finally show that minimum gaps between Inboard (IB) blanket sectors must be present during assembly so as to avoid excessive stress and strain in FW/B modules critical regions and raising chances of failure. A range of structural displacements are shown, from as low as 4 mm at BOL for free side walls to as high as 46 mm at 90 dpa for fully constrained side walls.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Anodized Aluminum Oxide Membrane Ionic Memristors

Memory effect in ion transport (IT) at the solid–solution interface is uniquely attractive in that the conductance depends on or “memorizes” the previous states. Hysteretic and rectified transport properties offer exciting potential to developing advanced iontronics and neuromorphic functions, improving the efficiency of energy conversion and electrochemical processes, and overcoming the selectivity-throughput bottleneck in the enrichment of low abundant species for environment- and energy-friendly separations, among others. Herein, memory effects are discovered in the rectified electrokinetic IT through anodized aluminum oxide (AAO) membranes containing densely packed highly ordered nanochannels (10 10 per cm 2 ). Characteristic memristor responses of pinched current–potential loops are resolved in voltammetric experiments and successfully reproduced through finite element simulation. Excitatory and inhibitory conductance states are shown to arise from the enrichment and depletion of mobile charge carriers. Structurewise, the transport symmetry is broken by the barrier oxide layer (BOL) on the one end of the cylindrical nanochannels across the AAO membranes. Charge selectivity is attributed to the gradient(s) of the space charge density across the BOL characterized by depth profiling via X-ray photoelectron spectroscopy analysis. The space charge gradient(s) overcomes the fundamental limitation of widely exploited surface charge effects to enable intense rectification and hysteresis prevailing at very high ionic concentrations up to 1–2 M. A new strategy is developed for controlling the preferential IT direction and selectivity via counterion intercalation and extraction/exchange. Mechanistic understanding is further confirmed through parameter variations such as potential scan rate and ionic strength, which also demonstrates convenient controls of the related functions.

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

The eROSITA Final Equatorial-Depth Survey (eFEDS)

Theoretical models of the co-evolution of galaxies and active galactic nuclei (AGNs) ascribe an important role in the feedback process to a short, luminous, obscured, and dust-enshrouded phase during which the accretion rate of the supermassive black hole is expected to be at its maximum and the associated AGN-driven winds are also predicted to be maximally developed. Here, to test this scenario, we have isolated a textbook candidate from the eROSITA Final Equatorial-Depth Survey (eFEDS) obtained within the performance and verification program of the eROSITA telescope on board the Spectrum Röntgen Gamma mission. From an initial catalogue of 246 hard X-ray selected sources that are matched with the photometric and spectroscopic information available within the eROSITA and Hyper Suprime-Cam consortia, three candidates quasars in the feedback phase have been isolated applying a diagnostic proposed previously. Only one source (eFEDS J091157.4+014327) has a spectrum already available (from SDSS-DR16, z = 0.603) and it unambiguously shows abroad component (full width at half maximum ~1650 kms –1 ) in the [OIII]5007 line. The associated observed L [OIII] is ~2.6 × 10 42 erg s –1 , one to two orders of magnitude higher than that observed in local Seyfert galaxies and comparable to those observed in a sample of z ~ 0.5 type 1 quasars. From the multi-wavelength data available, we derive an Eddington ratio (L bol /L Edd ) of ~0.25 and a bolometric correction in the hard X-ray band of k bol ~ 10, which is lower than the corrections observed for objects at similar bolometric luminosity. These properties, along with the outflow, the high X-ray luminosity, the moderate X-ray obscuration (L X ~10 44.8 erg s –1 , N H ~2.7 × 10 22 cm –2 ), and the red optical colour, all match the prediction of quasars in the feedback phase from merger-driven models. Forecasting to the full eROSITA all-sky survey with its spectroscopic follow-up, we predict that by the end of 2024, we will have a sample of few hundred such objects at z= 0.5–2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

eROSITA Final Equatorial-Depth Survey (eFEDS) eFEDS X-ray view of WERGS radio galaxies selected by the Subaru/HSC and VLA/FIRST survey

We constructed the eROSITA X-ray catalog of radio galaxies discovered by the WERGS survey, made by cross-matching the wide area Subaru/Hyper Suprime-Cam (HSC) optical survey and VLA/FIRST 1.4 GHz radio survey. We report finding 393 eROSITA detected radio galaxies in the 0.5-2 keV band in the eFEDS field covering 140 deg 2 . Thanks to the wide and medium depth eFEDS X-ray survey down to f 0.5 - 2 keV = 6.5 × 10 -15 erg s -1 cm -2 , the sample contains the rare and most X-ray luminous radio galaxies above the knee of the X-ray luminosity function, spanning 44 < log(L 0.5-2 keV (abs,corr) /erg s -1 ) < 46.5 at 1 < z < 4. The sample also contains the sources around and below the knee for the sources 41 < log(L 0.5-2 keV (abs,corr) /erg s -1 ) < 45 at z < 1. Based on the X-ray properties obtained by the spectral fitting, 37 sources show obscured active galactic nucleus (AGN) signatures with log(N H /cm -2 ) > 22. These obscured and radio AGN reside in 0.4 < z < 3.2, indicating that they are obscured counterparts of the radio-loud quasar, which were missed in the previous optical quasar surveys. By combining radio and X-ray luminosities, we also investigated the jet production efficiency η jet = η rad P jet /L AGN,bol by utilizing the jet power of P jet . We find that there are 14 sources with extremely high jet production efficiency at η jet ≈ 1. This high η jet value might be a result of the decreased radiation efficiency of η rad < 0.1, due to the low accretion rate for those sources, and/or of the boosting due to the decline of L AGN,bol by a factor of 10-100 by keeping P jet constant in the previous Myr, indicating the experience of the AGN feedback. Finally, inferring the BH masses from the stellar mass, we find that X-ray luminous sources show the excess of the radio emission with respect to the value estimated from the fundamental plane. This radio emission excess cannot be explained by the Doppler boosting alone, and therefore the disk–jet connection of X-ray luminous eFEDS-WERGS is fundamentally different from the conventional fundamental plane which mainly covers the low-accretion regime.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Stochastic Optimization to Find Optimum Beginning-of-Life Core Configuration of Stable Salt Reactor with Online Refueling

A stochastic optimization method has been developed to find an optimum equilibrium cycle core configuration of the waste-burning stable salt reactor, which is a fast-spectrum molten salt reactor with frequent online refueling. An optimum core configuration was determined with the goal of minimizing radial power peaking. Because of the vast number of potential candidate core configurations, stochastic optimization was applied based on simulated annealing and an additional acceleration method, which screened out unpromising core configurations. It has been demonstrated that the developed stochastic optimization method successfully finds the optimal core configuration regardless of the initial guess and outperforms the gradient descent approach. In addition, it has been observed that the use of a so-called out-in core configuration as the initial guess speeds up convergence of the iterative solution more than five times. Based on the searched optimum equilibrium cycle core configuration, new beginning-of-life (BOL) core configurations have been developed. In conclusion, the new BOL core configurations will be used in developing optimum refueling strategies.

Moltex static salt reactor↗
DOE OSTI2020

Multiplicity functions of quasars: predictions from the MassiveBlackII simulation

ABSTRACT We examine multiple active galactic nucleus (AGN) systems (triples and quadruples, in particular) in the MassiveBlackII simulation over a redshift range of 0.06 ≲ z ≲ 4. We identify AGN systems (with bolometric luminosity $L_{\mathrm{bol}}\gt 10^{42}~\mathrm{erg\, s}^{-1}$) at different scales (defined by the maximum distance between member AGNs) to determine the AGN multiplicity functions. This is defined as the volume/surface density of AGN systems per unit richness R, the number of AGNs in a system. We find that gravitationally bound multiple AGN systems tend to populate scales of ${\lesssim}0.7~\mathrm{cMpc}\, h^{-1}$; this corresponds to angular separations of ≲100 arcsec and a line-of-sight velocity difference ${\lesssim}200~\mathrm{km\, s}^{-1}$. The simulation contains ∼10 and ∼100 triples/quadruples per deg2 up to depths of DESI (g ≲ 24) and LSST (g ≲ 26) imaging, respectively; at least $20{{\ \rm per\ cent}}$ of these should be detectable in spectroscopic surveys. The simulated quasar ($L_{\mathrm{bol}}\gt 10^{44}~\mathrm{erg\, s}^{-1}$) triples and quadruples predominantly exist at 1.5 ≲ z ≲ 3. Their members have black hole masses $10^{6.5}\lesssim M_{\mathrm{ bh}}\lesssim 10^{9}~\mathrm{M}_{\odot }\, h^{-1}$ and live in separate (one central and multiple satellite) galaxies with stellar masses $10^{10}\lesssim M_{*}\lesssim 10^{12}~\mathrm{M}_{\odot }\, h^{-1}$. They live in the most massive haloes (e.g. ${\sim}10^{13}~\mathrm{M}_{\odot }\, h^{-1}$ at z = 2.5; ${\sim}10^{14}~\mathrm{M}_{\odot }\, h^{-1}$ at z = 1) in the simulation. Their detections provide an exciting prospect for understanding massive black hole growth and their merger rates in galaxies in the era of multimessenger astronomy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Degradation of Fuel Cell Membrane Electrode Assemblies from Buses Operated More than 25,000 h

This study investigates the performance losses and degradation of proton-exchange-membrane fuel-cell stacks taken from the Alameda Contra Costa Transit District (AC Transit) bus system (Alameda and Contra Costa counties, California, United States) that were operated for over 25,000 h. Here, we focus on the origin of differences in electrochemical performance between beginning-of-life (BOL) and end-of-life states as well as diagnostic data acquired during the lifetime of the buses. In doing so, we employ in- and ex- situ characterization methods such as polarization curves, electrochemical impedance spectroscopy, electron microscopy, and X-ray characterization. Uniform degradation of the catalyst layer including Pt agglomeration/migration and electrode thinning was observed in all of the post-teardown measurements compared to BOL materials resulting from years of field operation. Despite these changes, the measured post-teardown performance suggests a sufficient output for the expected load, which indicate factors other than degradation of the membrane-electrode assemblies (MEAs) are likely responsible for the decommissioning of the stacks. The findings indicate that these MEA materials can enable long lifetime in fuel-cell vehicles, if the MEAs are not subjected to adverse operating conditions. The results also highlight the need for more in-vehicle diagnostics to maximize the lifetime of fuel cell vehicle (FCV) powerplants.

25 ENERGY STORAGE↗
DOE OSTI2018

Device-scale CFD study for mass transfer coefficient and effective mass transfer area in packed column

Carbon dioxide (CO 2 ) is a significant contributor of greenhouse gases emissions responsible for global warming. The fossil-fueled power plant is one of the major sources of CO 2 emission worldwide and needs to be mitigated. Post-combustion carbon capture by chemical absorption can be a promising technology to reduce CO 2 emission from power plants. The absorption is carried out via countercurrent flow in the packed columns. Although monoethanolamine (MEA) is a popular solvent, it has also limitations such as high volatility of solvent, corrosivity that leads to product degradation and damage to apparatuses, low CO 2 loading capacity, etc. Therefore, alternate solvents are being explored as prospective materials for carbon capture. A water-lean solvent, CO 2 binding organic liquids (CO2BOL), is currently being developed as a prospective material in carbon capture at the Pacific Northwest National Laboratory. Since the development of the material is at the primitive stage, it needs extensive investigation before industrial deployments. Hydrodynamics and mass transfer phenomena in the packed column using CO 2 BOL is unknown. Computational fluid dynamics (CFD) can be a useful tool to understand these phenomena in the packed column. Before employing the extensive CFD investigations, one needs to carefully validate CFD predictions for accurate flow predictions. This report demonstrates the validation of multiphase flow simulations against the experimental results for both structured and random packed columns. The reactive multiphase flow simulations using volume of fluid method were conducted at a wide range of liquid loads and contacts angles. The effective area is one of the critical factors dictating interphase mass transfer due to chemical reactions. Accordingly, CFD-predicted effective areas were compared with the experimental results of Tsai et al. [1] for Mellapak 250.Y structured packing. Both results matched well at different liquid loads in the presence of fast chemical kinetics using caustic solvents. Further, reactive multiphase flow simulations were also conducted in pall ring random packing to compute effective areas in the presence of fast chemical reactions. The CFD-predicted effective area compared well with correlation developed by Song et al. [2]. With successful validations, the current simulation framework can be further used for prediction of hydrodynamics and mass transfer phenomena using CO 2 BOL solvents in the packed column. Subsequently, it would be helpful in design optimization of a packed column. In addition to validation of the CFD model, this report also explains the mechanism for enhanced liquid side mass transfer for a structured packed column as compared to the wetted wall column.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Development of an Extreme Fast Charging Battery

The objective of the project is to research, develop, design, fabricate, and demonstrate extreme fast charging (XFC) Li-ion cells capable of a 10 min charge to deliver 180Wh/kg at the beginning of life (BoL) and sustain >500 XFC cycles with less than 20% capacity loss. The PI developed an asymmetric temperature modulation (ATM) charging strategy that charges a Li-ion cell at an elevated temperature of ~60oC and discharges at the ambient temperature. The elevated charging temperature eliminates Li plating, while the limited exposure time to 60oC effectively controls materials degradation, thereby enabling XFC with remarkable battery life. We developed and demonstrated 209 and 271 Wh/kg cells, both of which exceed the afore-mentioned target of delivering 180Wh/kg at BoL and sustaining 500+ XFC cycles with less than 20% loss.

25 ENERGY STORAGE↗
DOE OSTI2023

Comparison of the Neutronic Performance of IRP-1 and IRP-2 at SNS

The Spallation Neutron Source (SNS) operated from start-up, in May 2006, through December, 2017 before replacing the Inner Reflector Plug (IRP). This component is the most costly and time-consuming “regular maintenance” replacement foreseen in the operation of the First Target Station (FTS). The IRP includes beryllium reflector blocks, steel and aluminum support structures, aluminum moderator vessels (which in turn include gadolinium and cadmium neutron poisons) and water coolant systems. The lifetime of this multi-million dollar component is driven by poison and decoupler burnup in moderator vessels. The moderators include these neutron poisons to best match neutron beam performance with scattering instrument needs. The burnup that comes with use changes the performance of the moderators until they no longer server their intended purpose. The reasonable desire to maximize the IRP lifetime means that the moderator performance at the Beginning Of Life (BOL) is significantly “over poisoned” and different from the performance at moderator End Of Life (EOL). Upon installation of the second IRP article, IRP-2, the SNS Neutronics team characterized the performance of the neutron beamlines in order to assess the differences between them, primarily by comparing the EOL performance of IRP-1 to the BOL performance of IRP-2. While IRP-2 was largely similar to IRP-1 in its conceptual design, there were some differences in the specific design of IRP-2 to support enhanced manufacturability, and the change from IPR-1 to IRP-2 coincided with the replacement of the light water in the IRP cooling loop with heavy water, as had been intended in the SNS design but not implemented during construction because of heavy water availability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Performance of Polymer Electrolyte Membrane Water Electrolysis Systems: Configuration, Stack Materials, Turndown and Efficiency

A cell model is developed and validated to analyze the performance of polymer electrolyte membrane water electrolysis (PEMWE) stacks and systems. It is used to characterize the oxygen evolution reaction (OER) activity on a TiO2-supported IrO2 catalyst and an unsupported IrO2 powder catalyst. Electrochemical, stack, and system thermoneutral potentials are defined and determined for isothermal and non-isothermal stack operation. Conditions are determined under which the system thermoneutral potential or flammability of H2 in the O2 anode stream limits the stack turndown and operating temperature. Performance is analyzed of a complete PEMWE system with an electrolyzer stack containing an IrO2/TiO2 anode catalyst (2 mg/cm2 Ir loading) and N117-like membrane mitigated for H2 crossover, anode balance-of-plant (BOP) components, cathode BOP system with temperature swing adsorption for H2 purification, and electrical BOP system with transformer and rectifier. At the rated power condition, defined as 2 A/cm2 at 1.9 V, 80 °C, and 30 bar H2 pressure, the stack/system efficiency is 65.3%/60.3% at beginning of life (BOL), decreasing to 59.3%/53.9% at end of life (EOL). The peak stack/system efficiency is 76.3%/70.2% at BOL, decreasing to 71.2%/65.6% at EOL. Improvements in catalyst activity and membrane are identified for a 50% increase in current to 3 A/cm2 at 1.8 V.

36 MATERIALS SCIENCE↗