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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Analyzing barium titanate TiO2 surface interactions with tert-butylphosphonic acid using density functional theory

Abstract Barium titanate (BTO) is a widely researched ferroelectric useful for energy storage. While BTO’s surface chemistry is commonly studied using density functional theory, little has been published on the TiO2 surface. Here, we determined that BTO’s surface response can be decoupled from the ferroelectric response by using a pre-optimized ferroelectric slab and allowing only the top three atomic z-layers to respond to ligand binding. Multiple favorable binding modes were identified for hydrogen, hydroxyl, water, and tert-butyl phosphonic acid on BTO’s TiO 2 surface. Of these ligands, tBuPA dominates surface binding with binding energies as low as − 2.61 eV for its nine configurations. Graphical abstract

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

Directed self-assembly of block copolymers for high-precision patterning in the era of extreme ultraviolet lithography

Extreme ultraviolet (EUV) lithography enables unprecedented resolution in semiconductor patterning but faces critical challenges in developing resist materials that achieve high-precision at economically viable throughput. Directed self-assembly (DSA) of block copolymers (BCPs) offers a promising solution for pattern rectification by leveraging thermodynamically determined domain structures to decouple BCP pattern quality from the imperfect original lithographic pattern. This prospective presents an overview of recent progress on the EUV + DSA strategy, covering advances in BCP material design, processing, metrology, and pattern transfer. We highlight recent advances in high-χ BCPs with perpendicular orientation and domain spacings compatible with EUV dimensions, leveraging A-b-(B-r-C) architectures. We also discuss progress in chemical pre-pattern fabrication using both positive- and negative tone resists, along with processing strategies to minimize defects and roughness based on BCP thermodynamics and assembly kinetics. We further examine metrology platforms for characterizing the thermodynamics of BCP materials and quantifying the size and shape of BCP domains. Lastly, we review pattern transfer strategies for generating functional inorganic masks suitable for semiconductor manufacturing. Together, these advances highlight the potential of DSA to complement EUV lithography, offering a pathway to address critical challenges in achieving high-precision patterning for the semiconductor industry.

Lee, Kyunghyeon [Univ. of Chicago, IL (United Stat↗
DOE OSTI2020

A machine learning-based fast frequency response control for a VSC-HVDC system

An HVDC system can realize a very fast frequency response to the disturbed system under a contingency because its active power control is decoupled from the frequency deviation. However, most of existing HVDC frequency control strategies are coupled with system primary frequency control and secondary frequency control. Since the traditional system frequency control is dominated by the thermal generators, the advantage of the fast response of the HVDC system is not made fully used. The development of a frequency response estimation based on a machine learning algorithm provides another approach to improve the frequency response capability of the HVDC system. Different from other frequency deviation tracking strategies, a machine learning based HVDC frequency response control can directly increase the power flow of a HVDC system by estimation of the system generator or load lost. In this paper, a fast frequency response control using a HVDC system for a large power system disturbance based on the multivariate random forest regression (MRFR) algorithm is proposed. The simulation is carried out with an integrated power system model based on the North American interconnections. The simulation results indicate that the proposed MRFR based frequency response control can significantly improve the frequency low point during an event, while stabilizing the frequency in advance.

42 ENGINEERING↗
DOE OSTI2024

Ice-slurry production for solar-ice systems using supercooling with an in-stream crystallizer

Using ice slurry produced from supercooled water with an in-stream crystallizer opens a new path for solarice systems, increasing efficiency and reducing investment cost compared to ice-on-coil systems. Power needs are decoupled from the stored energy since the heat exchangers are not evenly distributed in the ice storage vessel but directly placed as the heat pump evaporator, which depends on the heat pump capacity and not on the ice storage volume. The novel ice storage design can serve as a heat source for a heat pump, where its evaporator is used to supercool water below 0 °C, or for refrigeration. The supercooled water at a temperature around −2 °C, maintained in a meta-stable liquid state, is triggered to nucleate in an in-stream crystallizer. The current design of the ice crystallizer allows for continuous operation of the system and scalability. Experimental results obtained with a gasketed plate heat exchanger used to supercool water and an in-stream crystallizer operated at a power of up to 6.5 kW are presented.

Thamm, Ann-Katrin↗
DOE OSTI2024

Epigenetic drift underlies epigenetic clock signals, but displays distinct responses to lifespan interventions, development, and cellular dedifferentiation

Changes in DNA methylation with age are observed across the tree of life. The stereotypical nature of these changes can be modeled to produce epigenetic clocks capable of predicting chronological age with unprecedented accuracy. Despite the predictive ability of epigenetic clocks and their utility as biomarkers in clinical applications, the underlying processes that produce clock signals are not fully resolved, which limits their interpretability. Here, we develop a computational approach to spatially resolve the within read variability or “disorder” in DNA methylation patterns and test if age-associated changes in DNA methylation disorder underlie signals comprising epigenetic clocks. We find that epigenetic clock loci are enriched in regions that both accumulate and lose disorder with age, suggesting a link between DNA methylation disorder and epigenetic clocks. We then develop epigenetic clocks that are based on regional disorder of DNA methylation patterns and compare their performance to other epigenetic clocks by investigating the influences of development, lifespan interventions, and cellular dedifferentiation. We identify common responses as well as critical differences between canonical epigenetic clocks and those based on regional disorder, demonstrating a fundamental decoupling of epigenetic aging processes. Collectively, we identify key linkages between epigenetic disorder and epigenetic clocks and demonstrate the multifaceted nature of epigenetic aging in which stochastic processes occurring at non-random loci produce predictable outcomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Interpretation of Fracture Initiation Points by In-Well Low-Frequency Distributed Acoustic Sensing in Horizontal Wells

Summary Low-frequency distributed acoustic sensing (LF-DAS) exploits the optical phase shift of Rayleigh backscatter in fiber-optic cables to obtain distributed measurements of changes in strain and temperature. Fiber-optic cables are often installed for multistage hydraulic fracture diagnostics in horizontal wells. LF-DAS in an untreated well provides far-field strain measurements, while offset wells are hydraulically fractured. Such a configuration is called crosswell LF-DAS sensing. Crosswell LF-DAS measurements have proved useful in diagnosing fracture hits, fracture azimuth, planarity, cluster efficiency, fracture propagation rates, and the dynamic distance to the fracture front. In contrast, in-well LF-DAS is conducted on the actively fractured well. Due to cool fracture fluid being injected at high injection rates, the strain component of the LF-DAS response is largely obscured by temperature changes. In permanent fiber-optic cable installations, distributed temperature sensing (DTS) is often conducted simultaneously with LF-DAS. An opportunity exists to decouple the temperature and strain components of LF-DAS sensors to observe strain changes on in-well LF-DAS. The LF-DAS response is modeled as linearly dependent on strain and temperature changes. Theoretical LF-DAS temperature and strain sensitivity coefficients are derived based on the changes to the index of refraction and length of the fiber. Using the DTS measurements, temperature changes are computed, smoothed, filtered, and compared to the LF-DAS response. Crossplots of the in-well LF-DAS measurements and temperature changes from DTS measurements far from the actively fractured region are used to validate the theoretical sensitivity coefficients. Uncertainty in the temperature component of the LF-DAS response is quantified. The difficulty in corresponding the different spatial and temporal resolutions of the DTS and LF-DAS measurements is overcome by comparing the responses over a moving temporal and spatial window. If the LF-DAS response at the center of the window agrees with the DTS response within uncertainty, the measurement is filtered out. After filtering, the remaining nonzero in-well LF-DAS measurements are due to changes in strain. The data are then visualized in waterfall plots. The results indicate that the theoretical and observed strain and temperature coefficients agree within 10%. After the temperature component of the in-well LF-DAS response is extracted, the remaining nonzero measurements are located primarily within the actively treated region. Locations with peaks in the strain response are interpreted to indicate fracture initiation points. These fracture initiation points are compared with in-well DTS and high-frequency DAS noise measurements across multiple stages to better understand fracture initiation along the horizontal well.

Engineering↗
DOE OSTI2026

Raman spectroscopic investigation of ianthinite [U$_2^{4+}$(UO$_2$)$_4$O$_6$(OH)$_4$(H$_2$O)$_4$]·$5$H$_2$O, a rare mixed-valence uranium oxide hydrate

Ianthinite ([[U$_2^{4+}$(UO$_2$)$_4$O$_6$(OH)$_4$(H$_2$O)$_4$]·$5$H$_2$O) is an exotic mineral that possesses U in both tetravalent and hexavalent oxidation states and is structurally related to the U 3 O 8 polymorphs, which are commonly encountered technogenic materials in the nuclear fuel cycle. Despite the similarities between U 3 O 8 and ianthinite, and the importance of ianthinite in U paragenesis, no Raman spectra have been reported for this mineral. Here, to gain a more complete understanding of how structural attributes of ianthinite give rise to observable spectroscopic features and how these may relate to important materials in the nuclear fuel cycle, we provide, for the first time, Raman spectra of ianthinite. Ianthinite readily oxidizes at ambient conditions, complicating analysis of phase-pure material. Several analytical methods are employed herein to decouple the Raman features of ianthinite from its alteration product(s). First, a simple difference spectrum is presented, then results of Raman spectroscopic mapping are employed, and finally, we use a novel processing and analysis method. Each analysis method provides different insight into structural features that are unique to ianthinite, in particular, features that are attributable to U(IV) in distorted octahedral coordination in both ianthinite and U 3 O 8 phases.

Spano, Tyler L. [Oak Ridge National Laboratory (OR↗
DOE OSTI2022

Electrochemical CO2 conversion to formic acid through the Andora Process

Electrochemical utilization or conversion of CO2 can be used to convert waste CO2 into targeted high-value and cost-effective commercial products. Conventional processes for CO2 conversion to fuel sources are challenging and expensive due to their requirement for high temperatures and pressures. Electrochemically, a catalyst can be used at a fixed applied potential to reduce CO2 to form a desired product with less competition at modest operating conditions. Formic acid (FA) has recently become a product of interest for CO2 conversion due to its potential for hydrogen storage and fuel cell applications. Electrochemically, FA is produced through a direct two-electron transfer process involving CO2 with a proton source, requiring less energy input and fewer reaction steps than traditional processes. However, there remain significant obstacles for the broader-scale implementation of CO2 on the market, including competition with unwanted CO and H, the presence of molecular oxygen, and stability of the electrocatalyst. In order to overcome some of these challenges, a new continuous flow Andora Process was developed consisting of two separate cells to decouple electrochemical reduction of the charge carrier with the FA production via an engineered catalyst. Recent experimental results show that with appropriate design changes and operating conditions to the flow system, FA production above 500 mM can be achieved along with efficiencies above 80%. TEA and LCA assessments of the Andora Process show a potential for the reduction in the GWP potential and cost saving compared to the current comparative formic acid production process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Parametric Testing and Evaluation of a Novel Biphasic Absorption Process for Post-Combustion Carbon Capture

A novel biphasic CO2 absorption process (BiCAP) is being developed at the University of Illinois. BiCAP is enabled by using a new class of biphasic solvents developed based on multi-property criteria for postcombustion carbon capture. The process was previously demonstrated at the lab-scale, including in 10 kWe absorption and desorption column systems. In the current study, the process has been scaled up by building and testing a 40 kWe integrated capture skid at a power plant. Parametric tests for two biphasic solvents were conducted with the synthetic flue gas made of bottle CO2 gas and air to validate the performance and operational flexibility of the unit with respect to varying process or operating conditions. Operation of the phase separator, which is unique equipment to BiCAP, was verified to be stable and efficient. Two liquid phases could be separated via static settlement based on a density difference and >90% of the CO2 absorbed was concentrated in the separated CO2-rich phase. Results of parametric tests showed that the minimum heat duty appeared at the optimal stripping pressure. A higher stripping temperature was more favourable to improve overall energy performance. Introducing a secondary cold solvent feed stream to the top of the stripper via bypassing the cross heat exchanger helped reduce the heat loss carried with water vapour. Test results also revealed that the heat duty requirement was comparable when the CO2 concentration in flue gas decreased from ~11 to 4 vol.% as the phase separation decoupled the absorption and desorption steps in BiCAP. Under typical steady-state conditions, both biphasic solvents lowered the process heat duty by >40% compared with the reference 30 wt.% monoethanolamine solvent.

Absorption↗
DOE OSTI2021

Learning the ground state of a non-stoquastic quantum Hamiltonian in a rugged neural network landscape

Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate systematically the performance of a class of universal variational wave-functions based on artificial neural networks, by considering the frustrated spin- 1/2 1 / 2 J_1-J_2 J 1 − J 2 Heisenberg model on the square lattice. Focusing on neural network architectures without physics-informed input, we argue in favor of using an ansatz consisting of two decoupled real-valued networks, one for the amplitude and the other for the phase of the variational wavefunction. By introducing concrete mitigation strategies against inherent numerical instabilities in the stochastic reconfiguration algorithm we obtain a variational energy comparable to that reported recently with neural networks that incorporate knowledge about the physical system. Through a detailed analysis of the individual components of the algorithm, we conclude that the rugged nature of the energy landscape constitutes the major obstacle in finding a satisfactory approximation to the ground state wavefunction, and prevents learning the correct sign structure. In particular, we show that in the present setup the neural network expressivity and Monte Carlo sampling are not primary limiting factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Lattice regularization of reduced Kähler-Dirac fermions and connections to chiral fermions

We show how a path integral for reduced Kähler-Dirac fermions suffers from a phase ambiguity associated with the fermion measure that is an analog of the measure problem seen for chiral fermions. However, unlike the case of chiral symmetry, a doubler free lattice action exists which is invariant under the corresponding onsite symmetry. This allows for a clear diagnosis and solution to the problem using mirror fermions resulting in a unique gauge invariant measure. By introducing an appropriate set of Yukawa interactions which are consistent with ’t Hooft anomaly cancellation we conjecture the mirrors can be decoupled from low energy physics. Moreover, the minimal such Kähler-Dirac mirror model yields a light sector which corresponds, in the flat space continuum limit, to the Pati-Salam GUT model.

Physics↗
DOE OSTI2020

Bootstrapping mixed correlators in three-dimensional cubic theories II

Conformal field theories (CFTs) with cubic global symmetry in 3D are relevant in a variety of condensed matter systems and have been studied extensively with the use of perturbative methods like the \varepsilon ε expansion. In an earlier work, we used the nonperturbative numerical conformal bootstrap to provide evidence for the existence of a previously unknown 3D CFT with cubic symmetry, dubbed “Platonic CFT”. In this work, we make further use of the numerical conformal bootstrap to perform a three-dimensional scan in the space of scaling dimensions of three low-lying operators. We find a three-dimensional isolated allowed region in parameter space, which includes both the 3D (decoupled) Ising model and the Platonic CFT. The essential assumptions on the spectrum of operators used to provide the isolated allowed region include the existence of a stress-energy tensor and the irrelevance of certain operators (in the renormalization group sense).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Research three-dimensional hierarchical graphite architectures for anodes for fast charging

With current lithium ion batteries optimized for performance under relatively low charge rate conditions, implementation of XFC has been hindered by drawbacks including Li plating, kinetic polarization, and heat dissipation. This project will utilize model-informed design of 3-D hierarchical electrodes to tune key XFCrelated variables like 1) bulk porosity/tortuosity 2) vertical pore diameter, spacing, and lattice 3) crystallographic orientation of graphite particles relative to exposed surfaces 4) interfacial chemistry of the graphite surfaces through "artificial sEr' formation using ALD 5) current collector surface roughness (aspect ratio, roughness factor, etc.). A key aspect of implementing novel electrodes is characterizing them in relevant settings. For this project, ultimately led out of University of Michigan by Neil Dasgupta, that includes both coin cell and 2+ Ah pouch cell testing, as well as comparison testing against baselines. Sandia National Labs will be conducting detailed cell characterization on iterative versions/improvements of the model-based hierarchical electrodes, as well as COTS cells for baseline comparisons. Key metrics include performance under fast charge conditions, as well as the absence or degree of lithium plating. Sandia will use their unique high precision cycling and rapid EIS capabilities to accurately characterize performance and any lithium plating during 6C charging and beyond, coupling electrochemical observations with cell teardown. Sandia will also design custom fixturing to cool cells during rapid charge, to decouple any kinetic effects brought about by cell heating and allow comparisons between different cells and charge rates. Using these techniques, Sandia will assess HOH electrodes from the University of Michigan, as well as aiding in iterative model and electrode design.

25 ENERGY STORAGE↗
DOE OSTI2020

Herbaceous Feedstock 2018 State of Technology Report

The U.S. Department of Energy (DOE) promotes the production of advanced liquid transportation fuels from lignocellulosic biomass by funding fundamental and applied research that advances the state of technology (SOT). As part of its involvement with this mission, Idaho National Laboratory (INL) completes an annual SOT report for biomass feedstock logistics. This report summarizes supply system impacts of Bioenergy Technologies Office (BETO)-funded research and development efforts at INL and elsewhere (such as the High-Tonnage Feedstock Logistics projects (Webb et al. 2013a, Webb et al. 2013b, Webb et al. 2013c, Webb and Sokhansanj 2014, Sokhansanj et al. 2014) that lead to improvements in feedstock supply systems. These include improvements to and observed performance of innovative harvest and collection methods, storage technologies, transportation and handling approaches, and advanced preprocessing technologies. Biomass quality and variability, and the interface between feedstock quality and conversion performance are key drivers in addition to delivered feedstock cost. In this report, we estimate the benefits of R&D improvements to individual supply system unit operations, and present the status of feedstock logistics technology development for converting biomass into biofuels. These analyses are supported by experimental data where possible, and help to align the SOT relative to the cost goals defined in the Multi-Year Program Plan. The 2018 Herbaceous SOT aligned feedstock logistic design with current biorefinery’s design capacity utilized by biochemical conversion platform. Currently biochemical conversion platform utilizes a 725,000 dry ton/year biorefiney design for the techno economic analysis. Hence, feedstock delivered cost in the 2018 Herbaceous SOT is calculated based on biorefinery’s 725,000 dry ton design capacity instead of 800, 000 dry ton capacity utilized in the 2017 Herbaceous SOT. Biomass availabilities in this SOT were updated to year 2018 data from the 2016 Billion-Ton Report (BT16) (DOE 2016a), with the exception of switchgrass, for which the 2018 Herbaceous SOT utilized the 2019 switchgrass availability data from BT16. The BT16 report (DOE 2016a) does not project switchgrass availability in 2018; the soonest switchgrass is available in the BT16 report is 2019. Therefore, availability of switchgrass for this analysis was that projected for 2019. The 2018 Herbaceous SOT incorporates same technologies utilized in the 2017 Herbaceous SOT. However, a sensitivity analysis is performed to understand the impact of variation of process parameters on those technologies on feedstock logistic cost. New R&D data that shows the variations of process parameters affecting process performance is incorporated in the 2018 SOT to measure the variations in delivered feedstock cost. The 2018 Herbaceous SOT has also provided projected delivered feedstock of 2022 design case based on near term technical target under BETO funded R&D project. Finally, updated biorefinery size of 725,000 dry ton/year was incorporated within least-cost formulation model to select optimal siting and depot scales during optimization of the least cost blend. This modification to the optimization algorithm allows the trade-off between the cost of increased supply radius and the savings from selecting biomass from higher producing counties to be assessed. Such optimization has also showed the economic benefit of decentralized depots in comparison to centralized preprocessing co-located with the biorefinery by decoupling the biorefinery and feedstock locations. The 2018 Herbaceous SOT report documents the current modeled cost of a herbaceous feedstock supply system (from harvest to the pretreatment reactor throat, including grower payment) for hydrocarbon fuel production via biochemical conversion, based on equipment and processes now available or potentially available in the near term. The modeled cost also considers both the required quality and the availability of the biomass resources. The 2018 Herbaceous SOT predicts a modeled delivered feedstock cost of $83.67/dry ton (2016$); this is a $0.23/dry ton (2016$) decrease from the 2017 Herbaceous SOT. The modification of biorefinery’s designed capacity and increased projected biomass availability in the same supply shed contributed to this modeled cost reduction. The least-cost formulation model to optimally site and scale local distributed preprocessing depots also contributed to the cost reduction by considering county-level grower payment and distance from the biorefinery as variables in the optimization algorithm. Sensitivity analysis on various process parameters that affect delivered feedstock cost in the 2018 Herbaceous SOT shows that the delivered cost could varies from $80.45-$88.83/dry ton. The top factors that causes such variations are: effective baling rate, bale density, hammer mill throughput, interest rate and storage dry matter loss.

09 BIOMASS FUELS↗
DOE OSTI2020

Sustainable Aviation Fuel: Review of Technical Pathways

The 106-billion-gallon global (21-billion-gallon domestic) commercial jet fuel market is projected to grow to over 230 billion gallons by 2050. Cost-competitive, environmentally sustainable aviation fuels (SAFs) are recognized as a critical part of decoupling carbon growth from market growth. Renewable and wasted carbon can provide a path to low-cost, clean-burning, and low-soot-producing jet fuel. Research shows an opportunity to produce fuel in which aromatics are initially diluted with the addition of renewable iso-alkanes, aromatics are later fully replaced with cycloalkanes, and finally high-performance molecules that provide mission-based value to jet fuel consumers are introduced. Key to this fuel pathway is sourcing the three SAF blendstocks - iso-alkanes, cycloalkanes, and high-performing molecules - from inexpensive resources. When resourced from waste carbon, there are often additional benefits, such as cleaner water when sourcing carbon from wet sludges or less waste going to landfills when sourcing the carbon from municipal solid waste or plastic waste. Jet fuel properties differ from gasoline and diesel, so research will be most successful if it begins with the end result in mind.

09 BIOMASS FUELS↗
DOE OSTI2020

Scaling Up Energy Efficiency Investment in Emerging Markets - Private Sector Perspectives

Since 2000, electricity demand has flattened and decoupled from Gross Domestic Product (GDP) growth in the Organization for Economic Cooperation and Development (OECD) countries. This trend is anticipated to continue for the next several decades and is largely attributed to the implementation of energy efficiency measures. However, non-OECD countries (emerging markets) have experienced, and are projected to continue experiencing, increasing electricity demands. If the world is to meet the requirements of the Paris Agreement, annual investments in clean energy and energy efficiency need to increase by a factor of six by 2050, compared to 2015. Information presented in this paper is based on qualitative and quantitative data collection and analysis methods to provide an empirical understanding of barriers to private sector clean energy investment including microgrid development, energy efficiency, smart grid development, and utility-scale wind and solar in emerging markets. Through literature review, a survey, and a series of webinar dialogues, USAID and the U.S. Department of Energy National Renewable Energy Laboratory (NREL) solicited input from private sector actors, including developers, project financiers, manufacturers and technical assistance service providers, on the challenges they face to market entry in emerging markets, and their suggestions for improving market competitiveness.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Characterizing Shielded Special Nuclear Material by Neutron Capture Gamma-Ray Multiplicity Counting

We present a new neutron multiplicity counting analysis and measurement method for neutron-shielded fissile material using neutron-capture gamma rays. Neutrons absorbed in shielding produce characteristic gamma rays that preserve the otherwise lost neutron multiplicity signature. Neutron multiplicity counting provides estimates of fission parameters, such as neutron leakage multiplication, spontaneous fissioner (e.g. Pu-240) mass, and (α,n) ratio. Standard neutron multiplicity counting can incorporate the new neutron-capture gamma-ray multiplicity counting technique to characterize previously degenerate or intractable source configurations by maximizing the multiplicity signature. The new method decouples neutron source-detector interferences, such as reflection and thermalization time in the detector, that could improve measurements of the mean neutron lifetime. We also develop a detector prototype for the multiplicity counting of neutron-capture gamma rays and present detector design considerations, such as detection material and shielding, to optimize the detection of the 2.2 MeV hydrogen capture gamma ray. We simulate the prototype neutron- capture gamma-ray multiplicity counter against the BeRP ball in polyethylene shells to inform future measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Electrochemical CO 2 Utilization: Scalable System Operation for Formic Acid Production

In recent years, research into the electrochemical reduction of CO 2 has grown exponentially. Formic acid (FA) has become a particular value product from CO 2 due to its versatility [1], optimal atom economy [2], and thermodynamic favorable [3]. FA can be produced electrochemically via a direct two-electron transfer process involving CO 2 with a proton source, requiring less energy input and fewer reaction steps than the conventional Kemira process. However, product selectivity, electrode stability, and low faradic efficiency due to increased resistance under constant current, remain key issues for CO 2 reduction to FA [4]. University of Kentucky’s Center for Applied Energy Research (UK CAER) is currently investigating reactor designs to address the challenges associated with electrochemical CO 2 conversion to FA [5]. The current reactor system employs: (1) an organic-based charge carrier which shuttles charge directly to the catalyst to enable CO 2 reduction to FA; (2) novel electrode materials to mitigate large voltages and improve conductivity; and (3) a flow system which not only allows for the volumetric scale-up of both charge carrier and catalyst, but also decouples the charger carrier re-energized and FA production processes to protect the catalyst’s stability due to overpotential. Through careful adjustment of electrode, charge carrier, and electrolyte selection, cell resistances have decreased by over 15%, facilitating conduction necessary for effective CO 2 reduction to FA. The system uses a highly specific engineered catalyst, which has produced over 100 mM FA at a rate of over 10 mM FA/hour following the aforementioned electrode/charge carrier changes. System design considerations (flow rate, bulk volume) and modeling of the system will also be discussed.

20 FOSSIL-FUELED POWER PLANTS↗