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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Si Microwire-Array Photocathodes Decorated with Cu Allow CO 2 Reduction with Minimal Parasitic Absorption of Sunlight

High loadings of Cu were integrated on the light-facing side of Si microwire arrays used under simulated sunlight for the photoelectrochemical reduction of CO 2 (aq) to hydrocarbons in 0.10 M KHCO 3 (aq). Radial-junction n + p-Si microwire arrays decorated with Cu exhibited absolute photocurrent densities comparable to an uncovered Si surface. Moreover, with respect to a Cu foil electrode, the positive shift in the onset potential for hydrocarbon formation at n + p-Si/Cu microwire arrays was equal to or greater than the photovoltage of the semiconductor alone. Selective electrodeposition of Cu on the tips and sidewalls of Si microwires was responsible for the minimal parasitic reflection and absorption exhibited by the catalyst, such that light-limited, absolute current densities >25 mA·cm –2 were sustained for 48 h under simulated sunlight. Photoelectrodes prepared from semiconductors with low diode quality factors and electrocatalysts with large Tafel slopes are shown to benefit from increased microstructured surface area. Si microwire arrays are thus suitable for photoelectrochemical reactions requiring high loadings of metallic and reflective electrocatalysts.

25 ENERGY STORAGE↗
DOE OSTI2025

Cu Evolution over Bimetallic Cu‐Y/Beta Zeolite Under H 2 and Ethanol Atmospheres: Unveiling the Role of Diatomic Metal–Metal Interactions

Understanding the dynamic evolution of Cu species under varying environmental conditions is critical for addressing challenges related to the activity and the stability of copper‐based catalysts in thermo‐, photo‐, and electrocatalysis. However, metal–metal interactions between dual single atoms and their effects on Cu evolution after exposure to different environmental molecules remain underexplored. Herein, we synthesized bimetallic Cu‐Y/Beta catalysts with dual single‐atom Cu and Y sites and monometallic Cu‐Beta catalysts with isolated Cu sites in dealuminated Beta zeolites. By varying Cu and Y compositions, diatomic interactions were studied under H 2 and ethanol atmospheres. With 6 wt% Y loading, approximately 0.4 wt% of Cu species in Cu‐Y/Beta remained partially oxidized as Cu(I) after reduction in pure H 2 at 350 °C, in contrast to the full transition to metallic Cu observed in Cu‐Beta. Combining X‐ray absorption spectroscopy with kinetic studies revealed that metallic Cu became the predominant species after reduction with H 2 as Cu loading increased from 0.4 to 1.7 wt%, quadrupling the initial ethanol dehydrogenation rate and demonstrating the dominant role of Cu(0) sites. In conclusion, scanning transmission electron microscopy and density functional theory simulations indicated spatial proximity between dual single‐atom Cu and Y sites and elucidated Cu speciation controlled by diatomic interactions.

Copper↗
DOE OSTI2026

Large Load Impacts to Distribution System Hosting Capacity

This work examined the impact of large loads on utility distribution system models using the Sandia-developed open-source software DREAMS. It was shown that hosting capacity varies with location and changes after any asset is added to, or removed from, a system. Despite the tested models having similar rated voltages and other characteristics, their thermal and voltage constrained hosting capacity varied over 2 MW. The addition of a 3-phase balanced constant power large load with power factor of 1.0 exhibited non-linear reductions to all voltage constrained hosting capacities. The reductions to thermal constrained hosting capacity from a load with similar characteristics was more linear, related to the size of the added load, and did not impact all model buses. Co-located capacitors were shown to accommodate demand that was beyond the baseline voltage constrained hosting capacity limits, however, the costs and benefits from this approach were found to not be 1:1 and required additional available thermal capacity.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Developing a Vorticity-Velocity-Based Off-Body Solver to Perform Multifidelity Simulations of Wind Farms

Wind power has become a key player in satisfying the global energy needs. With increased market penetration, unanticipated unsteady loading induced failures, installation related reductions in power generation, and significant maintenance costs have underscored the need to predict the unsteady fluid-structure interactions related to turbine layout and off-design wind conditions. Contemporary turbine design tools are incapable of accounting for such loadings. As a result, researchers have started utilizing high-Performance-Computing (HPC) based Computational Fluid Dynamics (CFD) solvers, such as the U.S. Department of Energy sponsored ExaWind software package, to investigate these phenomena. Unfortunately, such HPC tools are computationally expensive for routine industrial use, often because of the sheer number of cells required to resolve the wake flowfield. This paper describes a preliminary effort to address this issue by developing a vorticity-velocity based CFD off-body solver, VorTran-M2-AMReX, that integrates directly with DOE's ExaWind wind turbine analysis system to perform accurate and reliable simulations of wind turbine/farm at a lower computational cost than ExaWind alone. This article summarizes work undertaken to date concerning the assembly of the proposed analysis tool, and provides preliminary validation and verification of the VorTran-M2-AMReX off-body solver.

adaptive mesh refinement↗
DOE OSTI2023

Impact of Biofuel Blending on Hydrocarbon Speciation and Particulate Matter from a Medium-Duty Multimode Combustion Strategy

The U.S. Department of Energy’s Co-Optima initiative simultaneous focused on diversifying fuel sources, improving efficiency, and reducing emissions through using novel combustion strategies and sustainable fuel blends. For medium-duty/heavy-duty diesel engines, research in this area has led to the development of a multimode strategy that uses premixed charge compression ignition (PCCI) at low loads and conventional diesel combustion (CDC) at mid–high loads. The aim of this study was to understand how emissions were impacted when using PCCI instead of CDC at low loads and switching to an oxygenated biofuel blend. It provides a detailed speciation of the hydrocarbon (HC) and particulate matter (PM) emissions from a multimode medium-duty engine operating at low loads in PCCI and CDC modes and high loads in CDC. The effect of the oxygenated biofuel blend on emissions was studied at all three mode–load conditions using #2 ULSD and a bio-derived fuel (25% hexyl hexanoate (HHN)) blended in #2 ULSD. The PCCI mode effectively decreased NOx, total HC, and PM/PN emissions, with a substantial decrease in larger particles (≥50 nm). A PM/PN reduction was observed at high loads with the 25% HHN fuel. While the total HC emissions were not impacted by fuel type, the detailed HC analysis exposed changes in the HC’s composition.

09 BIOMASS FUELS↗
DOE OSTI2022

Clean Condensing Gas Furnace

Natural gas furnaces are the most common space heating equipment in the U.S. residential and commercial building markets. However, current residential natural gas condensing furnaces generate substantial acidic condensate as well as significant emissions of sulfur oxides (SOx), nitrogen oxides (NOx), carbon monoxide (CO), hydrocarbons (HC), and methane (CH 4 ) contributing to environmental degradation of air, water, and soil. This report describes a novel solution to reduce the environmental impact of natural gas condensing furnaces based on the technology of a monolithic acidic gas reduction (AGR) catalyst for SOx trapping, NOx redox to nitrogen, and oxidation of formic acid, CO, HC, and CH 4 . The AGR technology offers the following benefits: (1) a neutral furnace condensate with a pH of ~7, allowing its safe release into the sewer system thus eliminating a second drainage system; (2) trapping and removing nearly all SOx emissions; (3) NOx emissions nearly at nearly 1-2 ng/J, more than 95% lower than new emissions standards in California; (4) the use of a low-cost heat exchanger as a condensing heat exchanger (HX) since the condensate is not acidic, avoiding the need for expensive stainless steel alloys; and (5) unburnt fuel energy recovery to boost efficiency.The AGR component and AGR-enabled furnace performance were broadly tested to determine their effects on long-term reliability and durability, as well as SOx storage and regeneration activity. The AGR regeneration does not impair the performance in achieving neutral condensate and ultra-low NOx emissions, and the AGR catalyst subjected to regeneration activities continued to function well and achieved slightly better annual fuel utilization efficiency (AFUE). The 400-hour reliability and durability test of the retrofitted condensing furnace with the AGR component shows that the furnace unit still achieves a neutral furnace condensate with a pH of ~7 and enables 0~3 ng/J of NOx emissions. However, the 400-hour operation slightly degraded the AFUE because of soot particle accumulation caused by frequent incomplete combustion owing to inappropriate condensate drainage during testing. Thus, proper condensate drainage is critical for AGR-enabled furnaces. Furthermore, neutron computed tomography was employed to survey the aged AGR component and demonstrate high-resolution 2D and 3D representations for the nondestructive diagnosis of the AGR component. The tomography showed that the AGR component did not deform or suffer broken AGR channels. A new AGR catalyst with low precious metal loading was preliminarily explored to identify a pathway of optimizing AGR material loading and maximizing acidic gas reduction at low cost. The new AGR component can reduce precious metal loading by 38% and still achieve neutral condensate and ultralow NOx emissions. The furnace with the AGR component of low Pt/Rh loading enables a maximum AFUE of 97%, which is meaningfully higher than the original furnace. Long-duration testing for the furnace enabled with the low precious metal loading AGR component will be vital in future research. Although the current work demonstrates a proof of concept for the AGR-enabled furnace, the AGR assembly needs to be optimized and integrated into the design of new OEM furnace products. Furthermore, the AGR technology can be applied not only for residential gas furnaces, but also for commercial rooftop units, gas heat pumps, gas-fired water heaters, combustion boilers, and other systems.

03 NATURAL GAS↗
DOE OSTI2025

Divertor shaping with neutral baffling as a solution to the tokamak power exhaust challenge

Exhausting power from the hot fusion core to the plasma-facing components is one fusion energy’s biggest challenges. The MAST Upgrade tokamak uniquely integrates strong containment of neutrals within the exhaust area (divertor) with extreme divertor shaping capability. By systematically altering the divertor shape, this study shows the strongest evidence to date to our knowledge that long-legged divertors with a high magnetic field gradient (total flux expansion) deliver key power exhaust benefits without adversely impacting the hot fusion core. These benefits are already achieved with relatively modest geometry adjustments that are more feasible to integrate in reactor designs. Benefits include reduced target heat loads and improved access to, and stability of, a neutral gas buffer that ‘shields’ the target and enhances power exhaust (detachment). Analysis and model comparisons shows these benefits are obtained by combining multiple shaping aspects: long-legged divertors have expanded plasma-neutral interaction volume that drive reductions in particle and power loads, while total flux expansion enhances detachment access and stability. Containing the neutrals in the exhaust area with physical structures further augments these shaping benefits. These results demonstrate strategic variation in the divertor geometry and magnetic topology is a potential solution to one of fusion’s power exhaust challenge.

magnetically confined plasmas↗
DOE OSTI2022

Field Study of Grid-connected Heat Pump Water Heaters in the Southeast U.S.: The Next Right Thing

The integration of grid-connected functionality and advanced control algorithms into heat pump water heaters (HPWH) offers the capability to shift load with minimal customer impact. This capability provides a flexible grid resource to utilities, while the increased energy efficiency of HPWHs offers customers a lower electric bill. The combined utility/customer value from grid-connected HPWHs is compelling in the Southeast U.S. where residential electric water heating is prevalent and utility load management is common. This paper presents the results of a HPWH load shifting study conducted in Central Florida using the CTA-2045 standard. Building upon previous research in the Pacific Northwest, this study consisted of approximately 45 occupied homes equipped with HPWHs undergoing load shifting strategies weekly for over a year. Curtailment durations ranged from three to five hours in the morning, and four to five hours in the evening to coincide with high-value periods for utility coincident load for system-wide electric demand reductions. During the morning and afternoon, a one- or two-hour load-up event preceded curtailment. Baseline data were collected across varied Florida weather in which no load shifting events were implemented. Results from traditional load shifting strategies were analyzed across seasons and used to devise unique load shifting approaches to increase renewable energy use during periods of high solar energy generation. Regional impacts are forecasted for large-scale implementation of strategies. Lessons learned and recommendations are also provided for how utilities, manufacturers, and regional planners can maximize load shifting benefits from grid-connected HPWHs.

Heat pump water heaters, residential building, loa↗
DOE OSTI2023

Atomic Layer Deposition of Cu Electrocatalysts on Gas Diffusion Electrodes for CO 2 Reduction

Electrochemical reduction of CO 2 using Cu catalysts enables the synthesis of C 2+ products including C 2 H 4 and C 2 H 5 OH. Here, in this study, Cu catalysts were fabricated using plasma-enhanced atomic layer deposition (PEALD), achieving conformal deposition of catalysts throughout 3-D gas diffusion electrode (GDE) substrates while maintaining tunable control of Cu nanoparticle size and areal loading. The electrochemical CO 2 reduction at the Cu surface yielded a total Faradaic efficiency (FE) > 75% for C 2+ products. Parasitic hydrogen evolution was minimized to a FE of ~10%, and a selectivity of 42.2% FE for C 2 H 4 was demonstrated. Compared to a line-of-sight physical vapor deposition method, PEALD Cu catalysts show significant suppression of C 1 products compared to C 2+ , which is associated with improved control of catalyst morphology and conformality within the porous GDE substrate. Finally, PEALD Cu catalysts demonstrated a stable performance for 15 h with minimal reduction in the C 2 H 4 production rate.

42 ENGINEERING↗
DOE OSTI2022

Heat Pumps with Phase Change Thermal Storage: Flexible, Efficient, and Electrification Friendly

As we continue to electrify space- and water-heating, the electricity demand profile of many buildings will change significantly, and periods of high electricity demand will likely not align with renewable energy generation. We expect electricity demands will increase substantially in the winter, annual maximum electricity demands will increase, and more regions will experience annual peak electrical demands – and higher wholesale electricity prices – in the winter. This is especially important for cold climates where 60% of site energy use in buildings is for heating, and where heat pumps perform least efficiently. This paper focuses on one promising solution among the many paths to electrification: the use of phase change materials (PCM) for compact low-cost thermal energy storage (TES). We present the design and simulation of a combi heat pump and phase change thermal storage system used for space- and water-heating in a multifamily residence in a cold climate. To assess the benefits of this technology, we compare its annual performance to that of a current state-of-the-art air-to-air heat pump and separate heat pump water heater. Simulation results for IECC Climate Zone 6A reveal that the combi heat pump with phase change thermal storage can reduce the design size for heat pumps by 40-60%, reduce maximum electric demand by 30-50%, reduce electricity use during 4-12-hour load shed periods by 50%, and avoid the need for auxiliary electric resistance for both space- and water-heating. Tariff structures are highly varied between different utilities and currently reflect higher wholesale market prices for electricity during summer days. Consequently, although this system design provides large electric demand reductions during hypothetical 4-12-hour load shed periods, it does not provide energy cost reductions with current winter residential time-of-use tariffs.

Helmns, Dre↗
DOE OSTI2022

Detailed Laboratory Evaluation of Electric Demand Load Shifting Potential of Controlled Heat Pump Water Heaters

The demand profile management of electric end uses is vital research for utilities and policymakers planning greenhouse gas emission reductions. In this study, detailed laboratory research was conducted on the load shifting potential of 4 grid-connected HPWHs and one electric resistance water heaters (ERWH). The testing applied different CTA-2045 shed and critical peak command designs under three water draw profiles. Highly-controlled laboratory experiments were conducted in Florida. One of the four HPWHs was a prototype incorporating the new CTA-2045-B protocol feature allowing ‘advanced’ load-up above tank setpoint. A three-hour morning (6 – 9 AM) and four-hour evening curtailment (4 – 8 PM) were defined as the shed or critical peak periods reflecting high-value control periods for utility coincident load for system-wide electric demand reductions. Tests were performed under baseline conditions (no load shift) and under varied load-shifting schemes, including load up and advanced load up, ahead of shed and critical peak commands. Data were collected from December 2020 – February 2022 in the laboratory and compared with field experiments in Florida and the Pacific Northwest. Grid-connected HPWHs were found to reduce peak demand by up to 0.47 kW compared to uncontrolled HPWH units, depending on time of day, control scheme, draw profile, and temperature cluster. The load up strategy demonstrated the ability of all units to utilize heat pump mode for extended periods ahead of peak events. Demand reductions for the HPWHs were much larger when compared with the ERWH— up to 1.64 kW with large hot water draws in winter.

Fenaughty, Karen↗
DOE OSTI2023

Controlling selectivity for dechlorination of poly(vinyl chloride) with (xantphos)RhCl

Reaction of poly(vinyl chloride) (PVC) with 5 equiv. of triethyl silane in THF, in the presence of in situ generated (xantphos)RhCl catalyst, results in partial reduction of PVC via hydrodechlorination to yield poly(vinyl chloride-co-ethylene). Increasing catalyst loading or using N,N-dimethylacetamide (DMA) as a solvent both diminished selectivity for hydrodechlorination, promoting competitive dehydrochlorination reactions. Reaction of PVC with 2 equiv. of sodium formate in THF in the presence of (xantphos)RhCl affords excellent selectivity for hydrodechlorination along with complete PVC dechlorination, yielding polyethylene-like polymers. Higher catalyst loadings were necessary to activate PVC towards reduction in this case. In contrast, reaction of PVC with 1 equiv. of NaH in DMA, in the presence of (xantphos)RhCl, exhibited good selectivity for dehydrochlorination, as well as much higher reaction rates. These results combined shed light on the interplay between critical reaction parameters that control PVC's mode of reactivity.

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

Medium-Voltage Isolated Auxiliary Power Supply Design for High Insulation Capability, Ultra-Low Coupling Capacitance, and Small Size

To fully utilize the benefits of medium-voltage (MV) silicon carbide (SiC)-based converter and achieve high power density, the isolated auxiliary power supply (IAPS) needs to be as small as possible. However, the high insulation and low coupling capacitance requirements, considering the high voltage and high dv / dt , are constraints of size reduction. This article proposes an MV IAPS design for high insulation capability, ultra-low coupling capacitance, and small size. The topology selection, efficiency, load regulation, coupling capacitance, and size reduction considerations are discussed. A 2.5 W MV IAPS is designed and built for a 10 kV SiC mosfet -based 13.8 kV/100 kW three-phase converter, achieving a partial discharge (PD) inception voltage of higher than 15 kV rms, ultra-low coupling capacitance of 1.03 pF, and smaller size than that of the commercial products as well as the state-of-art research prototypes. Experimental results of PD test, 10 kV SiC mosfet -based half-bridge test, and 13.8 kV/100 kVA three-phase converter full rating test are conducted for design validation.

42 ENGINEERING↗
DOE OSTI2023

Single Ru(II) Ions on Ceria as a Highly Active Catalyst for Abatement of NO

Atom trapping leads to catalysts with atomically dispersed Ru 1 O 5 sites on (100) facets of ceria, as identified by spectroscopy and DFT calculations. This is a new class of ceria-based materials with Ru properties drastically different from the known M/ceria materials. They show excellent activity in catalytic NO oxidation, a critical step that requires use of large loadings of expensive noble metals in diesel aftertreatment systems. Ru 1 /CeO 2 is stable during continuous cycling, ramping, and cooling as well as the presence of moisture. Furthermore, Ru 1 /CeO 2 shows very high NO x storage properties due to formation of stable Ru–NO complexes as well as a high spill-over rate of NO x onto CeO 2 . Only ~0.05 wt % of Ru is required for excellent NO x storage. Ru 1 O 5 sites exhibit much higher stability during calcination in air/steam up to 750 °C in contrast to RuO 2 nanoparticles. Here we clarify the location of Ru(II) ions on the ceria surface and experimentally identify the mechanism of NO storage and oxidation using DFT calculations and in situ DRIFTS/mass spectroscopy. Moreover, we show excellent reactivity of Ru 1 /CeO 2 for NO reduction by CO at low temperatures: only 0.1–0.5 wt % of Ru is sufficient to achieve high activity. Modulation-excitation in situ infrared and XPS measurements reveal the individual elementary steps of NO reduction by CO on an atomically dispersed Ru ceria catalyst, highlighting unique properties of Ru 1 /CeO 2 and its propensity to form oxygen vacancies/Ce +3 sites that are critical for NO reduction, even at low Ru loadings. Our study highlights the applicability of novel ceria-based single-atom catalysts to NO and CO abatement.

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

A Multi-Model Framework for Assessing Long- and Short-Term Climate Influences on the Electric Grid

Climate change influences many aspects of the electric grid, but prior work and industry practices often ignore the potential effects of changing climate, or they only consider a single effect or individual effects in isolation. Challenges vary with each grid and include adapting to long-term trends such as changing temperature and precipitation or shorter-term events such as drought or storms that could increase in frequency or intensity. Here we present a multi-model framework designed to analyze the effects of long and short-term climate impacts in combination. This framework couples capacity expansion and production cost models with hydrologic models and future climate scenario data to analyze alternative climate and energy futures at high spatial, temporal, and process resolutions. Furthermore, we constructed and evaluated the results of a suite of simulated scenarios exploring climate impacts on capacity investment and stress-tested the resulting future infrastructures using hourly dispatch modeling under alternative drought and load conditions. We demonstrate the approach through a case study of the U.S. Western Interconnection, where climate impacts depend on interactions between temperature-induced load, water availability for hydropower, technology competitiveness, and demand flexibility. Changes in 2038 generating capacity range from -8.5-16.6 GW, and changes in 2038 transmission capacity range from -1-2 GW. Capacity increases are driven by higher load from higher temperatures, while capacity reductions can be achieved in scenarios with higher future hydropower availability and increased demand flexibility. Scenarios requiring additional capacity cost an additional $\$5$-$\$17$ billion (discounted) from 2018 to 2038; however, scenarios with capacity reductions cost $\$1$-$\$18$ billion less. Stress tests on four 2038 infrastructures demonstrated that the identified systems were able to serve at least 99.999% of load and 99.96% of reserves. However, drought and unexpected high-load conditions can result in reduced capacity to respond to contingency events we did not model. Although these results are system and scenario specific, they highlight the importance of considering multiple climate change impacts simultaneously in long-term planning efforts and demonstrate a multi-model, multiscale approach that can be flexibly applied to any system and set of climate change concerns.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Design, Optimization, and Control of Floating Offshore Wind Farms for Optimal Energy Production (Final report)

The uncertainty and irregularity of ocean waves and the ocean environment is a major factor in the development of commercial scale floating wind turbines as the operation of floating structures in such an environment can lead to irregular and unpredictable loading, fatigue, and ultimately a reduction in the operational life of the turbine system which affects energy production over the lifetime of the turbine. Control solutions that can limit float motions and mitigate stressful events on the structure become essential for extending lifetime and limiting the operational uncertainty of a floating wind turbine. Digital twins are computational replicas of physical systems that operate in parallel with the operation of the physical system. Given advanced knowledge of a systems input, digital twins have the ability to predict the behavior of a system in advance, which can be valuable in the control of that system. In this project, we developed and assessed potential digital twin models developed in house and openly available (OpenFast) for use in the real time control of the six degree of freedom response motions of a floating wind turbine in ocean waves. Coupling these models with near-field real time irregular sea surface (wve) measurement/sensings and prediction models, we used the digital twin to predict how the floating turbine will respond to the incoming waves. Applying this information to a motion control system of the float, one can limit and control float motions to prevent undesirable loading events/large angular motions, thus increasing system life and ultimately contributing to optimizing energy production. Due to the computational intensity of operating a digital twin in real time, we investigated the use of artificial intelligence techniques to speed-up the processes of the digital twin, as well as the wave reconstruction/prediction models. Model tank testing at the University of Rhode Island and University of Maine both validated and demonstrated the developed techniques on simple float geometries and a scale model of the NREL 15 MW reference turbine.

17 WIND ENERGY↗
DOE OSTI2022

Simulation of a PCM Integrated Heat Pump Using Time-of-Use Utility Structure based Control Strategy for Demand Response

To mitigate the variation in demand on the electric grid, thermal energy storage (TES) is an alternative to electric batteries and constructing new peaking power plants. The aggressive carbon reduction goals of the United States are accelerating the electrification of building equipment. If space heating and cooling in the US were electrified using conventional heat pump technologies, the winter electric grid peak would approximately double. Integrating TES with heat pump (HP) enables electrification of space cooling and heating devices without overtaxing the grid.This paper evaluates the benefits of a novel phase change material (PCM) integrated heat pump configuration via simulation. A one-dimensional PCM heat exchanger model which discretizes the PCM tank and refrigerant tubes into small control volumes is developed. Each control volume can have different PCM temperatures, PCM properties, and heat transfer coefficients. The PCM tank is charged by a wrapped tank condenser and discharged by an internal refrigerant coil. The PCM heat exchanger model is integrated into DOE/ORNL Heat Pump Design Model for heat pump system simulation.To demonstrate the performance of the PCM integrated heat pump, a case study in Chicago was performed. A Time-of-Use utility structure-based control strategy is implemented to schedule the PCM tank charging and discharging mode switching. Compared with a conventional electric heat pump, the PCM integrated heat pump shows superior performance on load shifting and utility cost reduction. As a result, the proposed system demonstrates 24.6% utility saving for cooling application and 25.8% utility saving for heating application.

Li, Zhenning↗
DOE OSTI2020

Ni Nanoparticles on CeO 2 (111): Energetics, Electron Transfer, and Structure by Ni Adsorption Calorimetry, Spectroscopies, and Density Functional Theory

The morphology, interfacial bonding energetics and charge transfer of Ni clusters and nanoparticles on slightly-reduced CeO 2-x (111) surfaces at 100 to 300 K have been studied using single crystal adsorption calorimetry (SCAC), low-energy ion scattering spectroscopy (LEIS), Xray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and density functional theory (DFT). The initial heat of adsorption of Ni vapor decreased with the extent of pre-reduction (x) of the CeO 2-x (111), showing that stoichiometric ceria adsorbs Ni more strongly than oxygen vacancies. On CeO 1.95 (111) at 300 K, the heat dropped quickly with coverage in the first 0.1 ML, attributed to nucleation of Ni clusters on stoichiometric steps, followed by the Ni particles spreading onto less favorable terrace sites. At 100 K, the clusters nucleate on terraces due to slower diffusion. Adsorbed Ni monomers are in the +2 oxidation state, and they bind by ~45 kJ/mol more strongly to step sites than terraces. The measured heat of adsorption versus average particle size on terraces is favorably compared to DFT calculations. The Ce 3d XPS lineshape showed an increase in Ce 3+ /Ce 4+ ratio with Ni coverage, providing the number of electrons donated to the ceria per Ni atom. The charge transferred per Ni is initially large but strongly decreases with increasing cluster size for both experiments and DFT, and shows large differences between clusters at steps versus terraces. This charge is localized on the interfacial Ni and Ce atoms in their atomic layers closest to the interface. This knowledge is crucial to understanding the nature of the active sites on the surface of Ni-CeO 2 catalysts for which metal-oxide interactions play a very important role in the activation of O-H and C-H bonds. In conclusion, the changes in these interactions with Ni particle size (metal loading) and the extent of reduction of the ceria help to explain how previously reported catalytic activity and selectivity change with these same structural details.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗