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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A highly oxygen reduction reaction active and CO 2 durable high-entropy cathode for solid oxide fuel cells

One big obstacle for the oxygen reduction reaction (ORR) electrode in solid oxide fuel cells (SOFCs) is the poor reaction activity and fast degradations caused by CO 2 poisoning. Here, in this study, we report our design of an active A-site Ca-rich high-entropy Pr 0.1875 Ba 0.1875 Sr 0.1875 La 0.1875 Ca 0.25 CoO 3-δ (PBSLC 25 C) electrode, guided by the O p-band theory. Here, when applied as a cathode in solid oxide fuel cells (SOFCs), it demonstrates high ORR activity and excellent CO 2 tolerance under realistic operating conditions. Ni-YSZ-based anode-supported cells with PBSLC 25 C cathodes demonstrate excellent peak power densities of 1.14 W cm -2 , 1.04 W cm -2 , and 0.77 W cm -2 in the air with 1%, 5%, and 10% CO 2 , respectively, at 750 °C. The engineered high-entropy PBSLC 25 C effectively diminishes the CO 2 poisoning effect and maintains active surfaces for fast oxygen exchange, as confirmed by the cell durability test in air containing CO 2 (5 and 10 vol%), Raman spectroscopy, and density functional theory calculations.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Realizing efficient operations of Ni-cermet-based fuel cells on hydrocarbons via an in situ self-assembled metal/oxide nano-heterostructured catalyst

Operating Ni-cermet-based fuel cells on hydrocarbons is charming by largely hindered by poor coking tolerance and severe deterioration. Here, in this study, we report an effective metal/oxide nano-heterostructured catalyst with a nominal composition of Pr 0.95 Ru 0.05 O 2-δ (PRO), which is in situ self-assembled to a Pr 0.95 Ru 0.05-x O 2-δ oxide frame coated with Ru metallic nanoparticles (denoted as Ru/PRO) under the operation condition. When applied to the Ni-cermet (Ni-YSZ) anodes, the cells achieve decent peak power densities of 1.784 and 1.870 W cm -2 on CH 4 and C 3 H 8 with only 3% H 2 O at 750 °C, respectively. Moreover, the cells with Ru/PRO-coated anode demonstrate excellent durability when operated on CH 4 for ~ 220 h and C 3 H 8 for ~115 h. It is demonstrated that the Ru/PRO generates hydroxyl species that react with carbon species, followed by the formation of COH intermediates on Ni anode surfaces for removing the coking, as confirmed by experiments and computations.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Exsolution of NiCo alloys over Ruddlesden-Popper perovskite for mild electrochemical synthesis of ammonia on protonic ceramic electrochemical cells

Ammonia synthesis from renewable energies on protonic ceramic electrochemical cells (PCECs) shows great potential. The primary challenges in ammonia synthesis on PCECs include sluggish catalytic activity, competition from the hydrogen evolution reaction, and unsatisfactory durability of the cathode, which is the active site of ammonia generation. Here, in this study, we report an elaborate design of the cathode with an intended formula of Pr 4 Ni 1.79 Co 1.2R u 0.01 O 10-δ , where NiCo alloy nanoparticles are exsolved from Ruddlesden-Popper perovskite substrates after the reduction in 5 % H 2 /Ar at 400 °C for 1 h, for electrocatalysis of the nitrogen reduction reaction to ammonia. The host material Pr 4 Ni 1.8 Co 1.2 O 10-δ with embeddable layered structure and stability was deliberately chosen to fix the Ru cation and maximize the catalytic activity of NiCo. Also, density functional theory calculations suggest that Ru doping provides an optimal balance between structural stability and redox activity, facilitating the controlled exsolution of NiCo nanoparticles and enhancing catalytic performance. As a result, the composite electrode with exsolved NiCo alloy and abundant oxygen vacancies on fuel-electrode-supported PCECs achieves a superior electrochemical activity towards ammonia synthesis: a peak ammonia formation rate of 27.84 μg h −1 cm −2 and excellent Faradaic efficiencies of 62.6 % at 350 °C.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Heterostructured nano-catalysts with efficient metal-oxide interfaces unlock high-performance direct methanol protonic ceramic fuel cells

Direct methanol protonic ceramic fuel cells (PCFCs) are attractive due to their low cost, convenient storage, and high volumetric energy density, as well as their suitability for transportation. However, the poor coking tolerance of conventional nickel-based anodes leads to their susceptibility to severe carbon deposition and significant deactivation after long-term exposure to hydrocarbons. Herein, we report a nano-catalyst of Ce 0.6 Ni 0.2 Cu 0.2 O 2 with a heterogeneous structure that is spontaneously reduced into a Ce 0.6 Ni 0.2-x Cu 0.2-x O 2-δ (CeNCO) oxide framework interfaced with a nano NiCu alloy (denoted as NC/CeNCO) under operating conditions, as confirmed by analyses of X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, and transmission electron microscopy. A Ni-BaCe 0.7 Y 0.06 Yb 0.06 Zr 0.06 Hf 0.06 Gd 0.06 O 3-δ anode-supported PCFC employing the NC/CeNCO metal-oxide catalyst achieved a peak power density of 1.11 W cm −2 and operational stability of about 100 h at 700 °C when fueled by 35 % CH 3 OH-15 % H 2 O-50 % N 2 . In conclusion, the enhanced performance and coking resistance are attributed to the efficient interfaces of Ni, Cu, and ceria-based oxide in NC/CeNCO for CH 3 OH reforming, as confirmed by analyses of electrochemical performance and Raman spectroscopy with density functional theory calculations, revealing that these interfaces can enhance CH 3 OH activation and promote efficient OH-mediated carbon removal via COH intermediates.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Evaluation of smart charging for electric vehicle-to-building integration: A case study

Higher electric vehicle (EV) adoption will stress the importance of demand flexibility to achieve more economic, efficient, and reliable grid operation. Charging technologies will be paramount in shifting temporally to better fit the variable generation of wind and solar. As such, analysis is warranted on the benefits of EV charge scheduling with respect to installation cost, operation cost, difficulty of implementation, and grid flexibility. We tackle this by analyzing the cost savings of implementing an EV charge scheduling infrastructure to reduce demand charges and installation costs. In this paper, we analyze a case study for operation of 16 level 2 chargers and 1 fast charger for two different building types. We then evaluate various test phases for controlling building and charging loads using an adaptive charging network (ACN) algorithm to characterize the ACN’s potential to reduce overall project cost.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Assessments of data centers for provision of frequency regulation

There are numerous opportunities for data centers to participate in demand response programs considering their large energy capacities, flexible working environments and workloads, redundant design and operation, etc. As a type of demand response, frequency regulation requires fast response, and its potential is not fully explored by data centers yet. This paper proposes a synergistic control strategy for data center frequency regulation which uses both IT and cooling systems. It combines power management techniques at the server level with control of the chilled water supply temperature to track the regulation signal from the electrical market. A frequency regulation flexibility factor is also proposed to increase the IT capacity for frequency regulation. The performance of the control strategy is studied through numerical simulations using an equation based object-oriented Modelica platform designed for data centers. Simulation results show that with well-tuned control parameters, data centers can provide frequency regulation service in both regulation up and down. The performance of data centers in providing frequency regulation service is largely influenced by the regulation capacity bid, frequency regulation flexibility factor, workload condition, and cooling mode of the cooling system, and not significantly influenced by the time constant of chillers. In addition, compared with a server-only control strategy, the proposed synergistic control strategy can provide an extra regulation capacity of 3% of the design power when chillers are activated. Here, when chillers are deactivated, both strategies have a similar regulation capacity.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Experimental validation of an organic rankine-vapor compression cooling cycle using low GWP refrigerant R1234ze(E)

There is a significant global opportunity to capture and utilize low grade waste heat to reduce fossil fuel consumption, greenhouse gas emissions, and improve energy efficiency across a wide range of industries. In this work, an advanced type of thermally activated cooling system, an organic Rankine-vapor compression cycle (ORVC) with novel heat integration strategies, was designed and tested at a relevant scale for industrial waste heat recovery (300 kW th cooling capacity). The ORVC linked an organic Rankine power cycle and a vapor compression cooling cycle using a turbine and compressor that shared a single shaft. The ORVC test facility absorbed waste heat from a liquid stream at 91 °C to simulate engine coolant in diesel generator sets, rejected heat to a glycol stream at 30 °C, and generated chilled water at 7 °C. A cooling capacity of 264 kW ± 3.5 kW was experimentally validated with a COP of 0.56 ± 0.01 during steady-state operation at the design temperatures. The thermal efficiency, accounting for pump work, of the Rankine cycle was 7.7% ± 0.22% and the COP of the vapor compression cycle was 5.25 ± 0.09. The centrifugal turbo-compressor operated at 31.5 kRPM ± 0.3 kRPM, with a turbine and compressor isentropic efficiencies of 76.7% ± 0.90% and 84.8% ± 0.54%, respectively, with near-perfect power transmission between these components. The pressure drop in the piping and heat exchangers were significantly larger than expected which had a detrimental impact on the performance of the ORVC. In addition, the condenser on the cooling cycle could not deliver the subcooling as specified from the design point modeling. Furthermore, the results from the sensitivity analysis showed that the higher condenser glycol outlet temperature had the largest impact on performance, which is consistent with other analytical models in the literature. When the ORVC simulations were updated with experimental values for isentropic efficiencies of the turbomachinery, the thermal COP was 0.66 which represents an estimate of the predicted performance if test facility limitations are overcome.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Off-design performance of an organic Rankine-vapor compression cooling cycle using R1234ze(E)

In this study, a 264 kW th organic Rankine-vapor compression cycle (ORVC) was experimentally tested over a range of conditions to quantify the individual impact of off-design external conditions. The ORVC was designed to recover waste heat at 91 °C, reject heat to a liquid condenser stream at 30 °C, and produce chilled water at 7 °C. Here, the condenser heat rejection temperature was varied from 16.6 °C to 32.6 °C, the chilled water delivery temperature was varied between 2.1 °C and 13.1 °C, and the heat input temperature was varied from 91 °C to 120 °C. As the condenser heat rejection temperature decreased, the coefficient of performance (COP) of the ORVC improved from 0.558 at 30 °C to 0.682 at 16.6 °C, despite a reduction in compressor isentropic efficiency. Although the chilled water temperature variation had almost no impact on the organic Rankine cycle performance, the compressor efficiency decreased when the delivery temperature was below 7 °C. At the highest chilled water temperature, 13.1 °C, the COP of the ORVC was 0.643. Compressor stall was noted when the condenser heat rejection temperature was greater than 32.6 °C and the chilled water delivery temperature was below 2.1 °C. Increasing the driving heat source inlet temperature improved the COP of the ORVC and the thermal efficiency of the organic Rankine power cycle, while decreasing the efficiency of the compressor and the COP of vapor compression cycle. In addition, the integrated part load value of the system was determined through experimentation to be 0.682, which provides a realistic estimate of real-world performance.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Advances in benchmarking and round robin testing for PEM water electrolysis: Reference protocol and hardware

While the number of publications in the PEM water electrolysis community increases each year, no common ground concerning reference hardware (test cells and test bench) and testing protocols has been yet established. This would, however, be necessary for the comparability of experimental results. First attempts for such reference hardware and procedures have been made in the framework of the Task 30 Electrolysis within the Technology Collaboration Programme on Advanced Fuel Cells (AFC TCP) of the International Energy Agency (IEA). Since then, improvements of both the test hardware (test cell and components) as well as the measurement protocol were identified, and a revised methodology and key results based on a comprehensive measurement series have been obtained. A detailed protocol for testing commercial reference components with a reference laboratory test cell developed in-house by Fraunhofer ISE is presented. For evaluation of the protocol and the hardware, it was tested at three different institutions at the same time. Impedance spectroscopic and polarization data was acquired and analyzed. The obtained differences in performance were calculated to give the community an expectation window to compare own data to. Finally, the importance of a thorough temperature control and the conditioning phase are demonstrated.

08 HYDROGEN↗
DOE OSTI2022

Design optimization of integrated cooling inserts in modular Fischer-Tropsch reactors

Sustainable production of liquid fuels and feedstocks from atmospheric CO 2 through carbon recycling technologies is necessary to broaden decarbonization efforts and further reduce global emissions. Fischer–Tropsch (FT) reactors can address this challenge by providing storable, high-value liquid hydrocarbon fuels and feedstocks from syngas generated through reductive CO 2 utilization. FT technology, however, is most cost effective at large-scale, fixed-site plants and does not effectively address the smaller, globally distributed CO 2 point sources. Alternatively, smaller, modular reactors can be composed together to the specific scale of the emission source, yielding a flexible solution that enables more widespread deployment. In these modular reactors, thermal management using a finned cooling insert embedded within the catalyst matrix is critical to maintaining the performance and viability. Thus, in this work, topology optimization is used to determine the cooling insert geometry that maximizes reactor productivity while preventing auto-thermal runaway. Optimal designs are generated for varying number of constituent fins and over a range of maximum operating temperatures. Constraints including minimum feature length-scales and prescribed cooling insert material are imposed on the designs to enhance manufacturability. The impact of design features such as insert tapering and increased length scale hierarchy is automatically revealed by the systematic design framework employed. Here, this approach thus generates novel optimal geometries while automating, accelerating, and enhancing the design process compared to traditional heuristic approaches for cooling insert design in modular FT reactors.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Decarbonizing nitrogen fertilizer production via the electrochemical nitrogen oxidation reaction

Nitric acid is an important commodity chemical with extensive applications in both agricultural and industrial sectors. However, current production methods involve a combination of the Haber–Bosch and Ostwald processes, which are both energy and carbon emission intensive. The electrochemical nitrogen oxidation reaction (NOR) to produce nitric acid or nitrates shows great potential as an environmentally friendly method for producing fertilizers under mild conditions. The key to progress in this field lies in understanding the fundamental mechanistic insights and establishing robust experimental methods, which is essential for the efficient design and synthesis of electrocatalysts for NOR. Additionally, poor gas mass transport in conventional electrochemical reactors at present lead to lower NOR activity, thereby limiting the progress in this field. In this work, we present a synergistic computational and experimental approach to map out the potential chemical and electrochemical steps and determine the energetics on PtO 2 catalyst to gain mechanistic insights into NOR. Here, this study marks the first attempt to perform NOR in a vapor-fed reactor designed using advanced (additive) manufacturing. The vapor-fed reactor significantly improved the N 2 mass transport to the catalyst, allowing us to report the highest rate for nitrate production to date at 3.3 μmol cm -2 h -1 at 2.01 V vs RHE.

30 DIRECT ENERGY CONVERSION↗
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

A comprehensive experimental and kinetic modeling study of di-isobutylene isomers: Part 2

A wide variety of high temperature experimental data obtained in this study complement the data on the oxidation of the two di-isobutylene isomers presented in Part I and offers a basis for an extensive validation of the kinetic model developed in this study. Due to the increasing importance of unimolecular decomposition reactions in high-temperature combustion, we have investigated the di-isobutylene isomers in high dilution utilizing a pyrolysis microflow reactor and detected radical intermediates and stable products using vacuum ultraviolet (VUV) synchrotron radiation and photoelectron photoion coincidence (PEPICO) spectroscopy. Additional speciation data at oxidative conditions were also recorded utilizing a plug flow reactor at atmospheric pressure in the temperature range 725-1150 K at equivalence ratios of 1.0 and 3.0 and at residence times of 0.35 s and 0.22 s, respectively. Combustion products were analyzed using gas chromatography (GC) and mass spectrometry (MS). Ignition delay time measurements for di-isobutylene were performed at pressures of 15 and 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 diluted in 'air' in the temperature range 900-1400 K using a high-pressure shock-tube facility. New measurements of the laminar burning velocities of di-isobutylene/air flames are also presented. The experiments were performed using the heat flux method at atmospheric pressure and initial temperatures of 298-358 K. Moreover, data consistency was assessed with the help of analysis of the temperature and pressure dependencies of laminar burning velocity measurements, which was interpreted using an empirical power-law expression. Electronic structure calculations were performed to compute the energy barriers to the formation of many of the product species formed. The predictions of the present mechanism were found to be in adequate agreement with the wide variety of experimental measurements performed.

09 BIOMASS FUELS↗
DOE OSTI2024

Development of algorithms for augmenting and replacing conventional process control using reinforcement learning

Here, this work seeks to allow for the online operation and training of model-free reinforcement learning (RL) agents but limit the risk to system equipment and personnel. The parallel implementation of RL alongside more conventional process control (CPC) allows for the RL algorithm to learn from CPC. The past performance of both methods are assessed on a continuous basis allowing for a transition from CPC to RL and, if needed, transitioning back to CPC from RL. This allows for the RL algorithm to slowly and safely assume control of the process without significant degradation in control performance. It is shown that the RL can derive a near optimal policy even when coupled with a suboptimal CPC. It is also demonstrated that the coupled RL-CPC algorithm learns at a faster rate than traditional RL methods of exploration while the algorithm’s performance does not deteriorate below CPC, even when exposed to an unknown operating condition.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Half-cell electrode assessments of a crossover-tolerant direct methanol fuel cell with a platinum group metal-free cathode

In this work, a platinum group metal- free (PGM-free) Fe-N-C oxygen reduction reaction (ORR) catalyst derived from metal organic framework precursors (Fe-MOF) is evaluated at the cathode side of a direct methanol fuel cell (DMFC). A wide range of methanol concentrations were used, and the performance of the DMFC using air was evaluated and compared to a commercial Pt/C cathode. We conducted our tests with a custom, integrated H 2 reference electrode that separately provided the anode and cathode overpotentials. This allowed us to perform a Tafel analysis on both electrodes and understand the dominant polarizations involved at the PGM-free cathode and the PtRu/C anode. Overall, we achieved a high cell performance using a Fe-N-C based catalyst under liquid methanol and air operation with a peak power density of 111 mW/cm 2 , where the cathode presented a markedly larger contribution to the voltage loss versus the anode. Additionally, we used nanoscale X-ray computed tomography (nano-CT) to image the Fe-N-C cathode and investigate the ionomer and pore size distributions allowing us to identify areas of improvement for catalyst layer fabrication.

30 DIRECT ENERGY CONVERSION↗