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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Tunable catalytic properties of bi-functional mixed oxides in ethanol conversion to high value compounds

tA highly versatile ethanol conversion process to selectively generate high value compounds is pre-sented here. By changing the reaction temperature, ethanol can be selectively converted to >C2alcohols/oxygenates or phenolic compounds over hydrotalcite derived bi-functional MgO–Al2O3cata-lyst via complex cascade mechanism. Reaction temperature plays a role in whether aldol condensationor the acetone formation is the path taken in changing the product composition. This article containsthe catalytic activity comparison between the mono-functional and physical mixture counterpart to thehydrotalcite derived mixed oxides and the detailed discussion on the reaction mechanisms.

Ramasamy, Karthikeyan K.↗
DOE OSTI2017

Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles

Transition metal oxides such as Co3O4 and NiO are of significant interest as conversion anode materials for lithium-ion batteries (LIBs), due to their remarkably high theoretical capacities and low cost. While many previous experiments have found that the charge/discharge reactions of Co3O4 and NiO can be highly reversible, detailed information about the mechanisms of these reactions, such as the origin of the voltage hysteresis (>1.0 V) between the charge/discharge cycles, is still poorly understood. In this work, we develop and utilize a new computational mechanistic approach that helps elucidate the hysteresis and nonequilibrium reaction pathways associated with these conversion materials. We apply this methodology to investigate a variety of lithiation reaction pathways of Co3O4 and NiO by systematically exploring the energetics of a large number of equilibrium and nonequilibrium LixCo3O4 (0 ≤ x ≤ 8) and LixNiO (0 ≤ x ≤ 2) structural configurations using first-principles calculations. The overall value of the voltages from our nonequilibrium pathway is in much better agreement with experimental lithiation than the calculated equilibrium voltage while the overall value of the latter reasonably agrees with experimental delithiation. Hence, we propose the charge and discharge processes proceed through equilibrium and nonequilibrium reaction paths, respectively, which contribute significantly to the experimentally observed voltage hysteresis in Co3O4 and NiO. Additionally, we find a low-energy, lithiated intermediate phase (Li3Co3O4) with an oxygen framework equal to that of the initial Co3O4 spinel phase. This intermediate phase represents the capacity threshold below which limited volume expansion and better reversibility can be realized and above which reactions lead to structural degradation and huge expansion.

Yao, Zhenpeng↗
DOE OSTI2017

Insights of biomass recalcitrance in natural Populus trichocarpa variants for biomass conversion

Populus has been investigated as a promising biomass feedstock for alternative fuels and chemicals. Physicochemical characteristics and genomic information of biomass feedstocks are among the essential information that can help not only advance our understanding of biomass recalcitrance but also in its efficient utilization. Here in this paper, the recalcitrance of natural Populus variants was elucidated in three aspects: (1) sugar release, (2) physicochemical properties, and (3) relative variation of gene expression within natural poplar variants. The sugar release performance of natural Populus variants was evaluated with their correlation with biomass recalcitrance-related characteristics. Among the physicochemical properties of poplar, the lignin content, lignin molecular weight, lignin S/G ratio, and cellulose accessibility were found to correlate with sugar release. The results demonstrated that the lignin content was negatively correlated with sugar release, whereas the lignin molecular weight, lignin S/G ratio, and cellulose accessibility were positively associated with poplar sugar release. The trend of differential gene expression of each variant also supports the characterization results and their effects on biomass conversion.

09 BIOMASS FUELS↗
DOE OSTI2018

Foaming during Nuclear Waste Melter Feeds Conversion to Glass: Application of Evolved Gas Analysis

During the final stages of batch-to-glass conversion in a waste-glass melter, gases evolving in the cold cap produce primary foam, the formation and collapse of which control the glass production rate via its effect on heat transfer to the reacting batch. We performed quantitative evolved gas analysis (EGA) for several HLW melter feeds with temperatures ranging from 100 °C to 1150 °C, the whole temperature span in a cold cap. EGA results were supplemented with visual observation of batch-to-glass transition using the feed expansion tests. Upon heating, most of the gases—mainly H2O, CO2, NO, NO2, N2 and O2—evolve at temperatures below 700 °C and escape directly to the atmosphere through open porosity. However, as open porosity closes when enough glass-forming melt appears at 720 °C, the residual gas evolution leads to the formation of primary foam. We found that primary foaming is mostly caused by the decomposition of residual carbonates, though oxygen evolution from iron-redox reaction can also play a role. We also show that the gas evolution shifts to a higher temperature when the heating rate increases. The implications for the mathematical modeling of foam layer in the cold cap are presented.

Hujova, Miroslava↗
DOE OSTI2017

Melter feed viscosity during conversion to glass: Comparison between low-activity waste and high-level waste feeds

During nuclear waste vitrification, a melter feed (generally a slurry-like mixture of a nuclear waste and various glass forming and modifying additives) is charged into the melter where undissolved refractory constituents are suspended together with evolved gas bubbles from complex reactions. Knowledge of flow properties of various reacting melter feeds is necessary to understand their unique feed-to-glass conversion processes occurring within a floating layer of melter feed called a cold cap. The viscosity of two low-activity waste (LAW) melter feeds were studied during heating and correlated with volume fractions of undissolved solid phase and gas phase. In contrast to the high-level waste (HLW) melter feed, the effects of undissolved solid and gas phases play comparable roles and are required to represent the viscosity of LAW melter feeds. This study can help bring physical insights to feed viscosity of reacting melter feeds with different compositions and foaming behavior in nuclear waste vitrification.

Jin, Tongan↗
DOE OSTI2020

Na + -gated water-conducting nanochannels for boosting CO 2 conversion to liquid fuels

Robust, gas-impeding water-conduction nanochannels that can sieve water from small gas molecules such as hydrogen (H 2 ), particularly at high temperature and pressure, are desirable for boosting many important reactions severely restricted by water (the major by-product) both thermodynamically and kinetically. Identifying and constructing such nanochannels into large-area separation membranes without introducing extra defects is challenging. We found that sodium ion (Na + )–gated water-conduction nanochannels could be created by assembling NaA zeolite crystals into a continuous, defect-free separation membrane through a rationally designed method. Highly efficient in situ water removal through water-conduction nanochannels led to a substantial increase in carbon dioxide (CO 2 ) conversion and methanol yield in CO 2 hydrogenation for methanol production.

Science & Technology - Other Topics↗
DOE OSTI2016

Development of Low-Intermediate Temperature Fuel Cells for Direct Conversion of Methane to Methanol Fuel

The objective of this project is development of a durable, low-cost, and high performance Low Temperature Solid Oxide Fuel Cell (LT-SOFC) for direct conversion of methane to methanol and other liquids, characterized by: a) operating temperature < 500oC, b) current density of > 100 mA/cm2 in liquid hydrocarbon production mode, c) continuous operation of > 100 h, d) cell area >100 cm2, e) cell cost per rate of product output < 100,000/bpd, f) process intensity of > 0.1 bpd/ft3, g) product yield and carbon efficiency > 50%, and h) volumetric output per cell > 30 L/day.

Torabi, Alireza↗
DOE OSTI2026

The Perils of AI-Assisted Time Conversion Critical Errors in J2000 Time to UNIX/UTC Conversions Using AI Assistants (Technical Memorandum)

This memo addresses a critical issue encountered when using AI assistants for time system conversions, specifically converting data tagged with J2000 seconds through UNIX time to UTC. Initial AI responses to this common conversion task were fundamentally incorrect, with errors exceeding 37 seconds - enough to cause significant issues in many applications. This document demonstrates the problem, quantifies the error, and provides best practices for using AI tools safely in technical work. Both Claude 4.5 Sonnet and ChatGPT GPT-5.5 Thinking gave the same answer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Conversion Kinetics and Ionic Conductivity in Na-β”-Alumina + YSZ (Naβ”AY) Sodium Solid Electrolyte via Vapor Phase Conversion Process

Sodium ion batteries have been receiving increasing attention and may see potential revival in the near future, particularly in large-scale grid energy storage coupling with wind and solar power generation, due to the abundant sodium resources, low cost, and sufficiently high energy density. Among the known sodium ion conductors, the Na-β”-alumina electrolyte remains highly attractive because of its high ionic conductivity. This study focuses on the vapor phase synthesis of a Na-β”-Alumina + YSZ (Naβ”AY) composite sodium electrolyte, which has higher mechanical strength and stability than conventional single phase β”-Alumina. The objectives are the measurement of conversion kinetics through a newly developed weight-gain based model and the determination of sodium ionic conductivity in the composite electrolyte. Starting samples contained ~70 vol% α-Alumina and ~30 vol% YSZ (3 mol% Y 2 O 3 stabilized Zirconia) with and without a thin alumina surface layer made by sintering in air at 1600 °C. The sintered samples were placed in a powder of Na-β”-alumina and heat-treated at 1250 °C for various periods. Sample dimensions and weight were measured as a function of heat treatment time. The conversion of α-Alumina in the α-Alumina + YSZ composite into Naβ”AY occurred by coupled diffusion of sodium ions through Na-β”-alumina and of oxygen ions through YSZ, effectively diffusing Na2O. From the analysis of the time dependence of sample mass and dimensions, the effective diffusion coefficient of Na 2 O through the sample, D eff , was estimated to be 1.74 x 10 -7 cm2 s -1 , and the effective interface transfer parameter, k eff , was estimated as 2.33 x 10 -6 cm s -1 . By depositing a thin alumina coating layer on top of the bulk composite, the chemical diffusion coefficient of oxygen through single phase Na-β”-alumina was estimated as 4.35 x 10 -10 cm 2 s -1 . An AC impedance measurement was performed on a fully converted Naβ”AY composite, and the conductivity of the composite electrolyte was 1.3 x 10 -1 S cm -1 at 300 °C and 1.6 x 10 -3 S cm -1 at 25 °C, indicating promising applications in solid state or molten salt batteries at low to intermediate temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analysis of the Ion Conversion Mechanisms in the Effluent of Atmospheric Pressure Plasma Jets in Ar with Admixtures of O 2 , H 2 O and Air

Ionic species in atmospheric pressure plasma jets (APPJs) play an important role in plasmasurface and plasma-liquid interactions, nonetheless, they have not received the same attention as their neutral reactive species counterparts. In this work, a molecular beam mass spectrometer (MBMS) was used to characterize the ion compositions in the effluent of an APPJ operating in ambient air for different feed gases including Ar + O 2 , Ar + air and Ar + H 2 O mixtures inspired by gas compositions used for biomedical applications. Changes in compositions of positive and negative ions as a function of nozzle-to-substrate distance along the plasma plume were analyzed and compared with a pseudo-1D plug flow model. Positive and negative ions were detected up to distances of 12 mm from the visible plasma plume tip. The measurements enable to follow the ion conversion pathways in the effluent of the APPJs as a function of distance from the nozzle. The trends in ion yield obtained from a pseudo-1D plug flow model showed generally a good agreement with the experimentally observed trends after addition of ionic reactions to the previously reported reaction set but also some distinctive differences were observed. The dominant positive ions in the far effluent are water ion clusters, the most stable ion for all gas mixtures investigated, while a large variety of negative ions was found for different gas mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Dynamic Interplay between Copper Tetramers and Iron Oxide Boosting CO2 Conversion to Methanol and Hydrocarbons under Mild Conditions.

Atomically precise subnanometer catalysts are of significant interest because of their remarkable efficiency in a variety of catalytic reactions. However, the dynamic changes of active sites under reaction conditions, in particular, the transition of cluster-oxide interface structure have not yet been well-elucidated, lacking in situ measurements. By using multiple state-of-the-art in situ characterizations, here we show a dynamic interplay between copper tetramers and iron oxides in a single-size Cu-4/Fe2O3 catalyst, yielding an enrichment of surface Cu-4-Fe2+ species under reaction conditions that boosts CO2 hydrogenation at near-atmospheric pressures. During reaction, Cu-4 clusters facilitate the reduction of Fe2O3 producing surface-rich Fe2+ species in the proximate sites. The as-formed Fe2+ species in return promotes CO2 activation and transformation over Cu4 cluster, resulting in strikingly high methanol synthesis at low temperatures and C-1/C-3 hydrocarbon production in a high-temperature regime. The discovery of highly active Cu-4-Fe2+ sites thus provides new insights for the atomic-level design of copper catalyst toward high-efficiency CO2 conversion under mild conditions.

CO2 conversion↗
DOE OSTI2024

Alternatives to MARVEL Power Conversion -- Comparison of Stirling Engine Thermal Efficiency and Design to Other Power Conversion Cycles

PRESENTATION for CONFERENCE PAPER: The Microreactor Applications, Research, Validation, and Evaluation (MARVEL) Reactor is a small liquid-metal thermal reactor that will be built at the Idaho National Laboratory to demonstrate design and operating processes for microreactors, microgrid integration, and process heat applications. Power conversion in the MARVEL design is provided by Stirling engines, which have disadvantages in nuclear environments. Compared to Stirling engine performance, some alternative power cycles can increase power production when coupled to a liquid-metal thermal reactor. In this paper, the thermal efficiency of MARVEL’s power production with Stirling engines is compared to the thermal efficiency of power production with MARVEL and alternative power cycles. Those cycles include a superheated Rankine cycle, open and closed Brayton cycles, and a supercritical carbon dioxide cycle. All cycles (except the Stirling engines) were modeled with an intermediate helium loop to meet MARVEL’s principal design criteria. All models are simple designs with conservative assumptions for consistent comparison. Detailed optimization will depend largely on reactor location and application, and the relative merit of each cycle is discussed for different environmental conditions. The study informs significant early decisions on power cycle design and economics for deployment of advanced microreactors as they move from theory and concept to execution.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗