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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 OSTI2023

Simulation of the dynamics of gas mixtures during plasma processing in the C75 Cavity

Plasma processing using a mixture of noble gas and oxygen is a technique that is currently being used to reduce field emission and multipacting in accelerating cavities. Plasma is created inside the cavity when the gas mixture is exposed to an electromagnetic field that is generated by applying RF power through the fundamental power or higher-order mode couplers. Oxygen ions and atomic oxygen are created in the plasma which breaks down the hydrocarbons on the surface of the cavity and the residuals from this process are removed as part of the process gas flow. Removal of hydrocarbons from the surface increases the work function and reduces the secondary emission coefficient. This work describes the initial results of plasma simulation, which provides insight into the ignition process, distribution of different species, and interactions of free oxygen and oxygen ions with the cavity surfaces. The simulations have been done with an Ar/?2 plasma using COMSOL® multiphysics. These simulations help in understanding the dynamics and control of plasma inside the cavity and the exploration of different gas mixtures.

Dhakal, Pashupati↗
DOE OSTI2025

AUTOIGNITION DELAY TIMES FOR REFORMATE GAS MIXTURES FROM METHANE GAS ENGINES

Methane slip is a prominent issue in natural gas reciprocating engines that are used in transportation and marine applications. The incomplete combustion that results in methane slip can be resolved with the introduction of hydrogen within the combustion mixture to improve methane oxidation and further enable combustion within the engine crevices where methane has previously remained unreacted. Steam methane reforming (SMR) is a common method used to produce hydrogen and can be used to design an onboard device to reduce methane slip from reciprocating engines. The development of this reformer device requires the validation of high-fidelity chemical kinetic models at the low temperatures of the crevice volumes of these engines. In this work, auto-ignition data is obtained using a shock tube at lean (φ—0.714 or λ—1.4) and stoichiometric (φ, λ = 1) equivalence ratios spanning a temperature range of 1042–1234 K at the 80-bar operating pressure of the test engine. Blends of methane, hydrogen, and reformate products from the SMR reaction are shock-heated in synthetic air, with the ignition delay time measured using an OH* chemiluminescence detector at 310 nm and a CH* detector at 430 nm. The experimental results are compared to several state-of-the-art chemical kinetic mechanisms from the literature. In general, most of the mechanisms show very good agreement with experiments at higher temperatures, with simulation results showing little deviation from experiments at lower temperatures. A sensitivity analysis was conducted, and the results reveal that the reaction H2 + CH3O2 = H + CH3O2H has a very significant role in determining low-temperature ignition delay times (IDTs) of SMR mixtures. These findings provide valuable insights into the chemical kinetics governing methane reformate combustion and contribute to the optimization of onboard reformer designs aimed at mitigating methane slip in natural gas-fueled engines.

Fraze, Matthew↗
DOE OSTI2022

Physical and Flow Properties of Glass Forming Chemicals (V2O5, SnO, SnO2, Cr2O3, FeCr2O4, and ZrSiO4) and Mixtures

For a sustainable nuclear waste vitrification process at the Hanford Tank Waste Treatment and Immobilization Plant (WTP), proper selection and consistent supply of glass-forming chemicals (GFCs) are crucial. Establishing rigorous acceptance criteria for the characterization of GFCs will be required to operate the vitrification facility and to mitigate any processing issues or failures. Low-activity wastes (LAW) are blended with GFCs to form slurry melter feeds and vitrified in a melter. To enhance properties of waste glasses, new chemicals are being introduced to the current GFC mixture (Vienna et al. 2016; Muller et al. 2017, 2019). In this study, three new GFCs were evaluated for enhanced LAW glass formulations: chromium oxide (Cr 2 O 3 ), vanadium oxide (V 2 O 5 ), and stannic oxide (SnO 2 ). These three oxide components are included in enhanced waste glass (EWG) formulations and GFCs with the appropriate physical and flow properties are needed. As a starting point, single metal oxide GFCs: Cr 2 O 3 , V 2 O 5 , and SnO 2 were sourced and tested. To characterize these new individual GFCs and mixtures of GFCs, the industrial bulk characterization consultant, Jenike and Johanson, was employed to measure physical and flow properties of individual GFCs and their mixtures. Pacific Northwest National Laboratory (PNNL) also measured several selected physical properties for data evaluation as a quality assurance step. In addition, PNNL measured physical and rheological properties of slurry melter feeds containing those GFCs. Subsequent data analyses and verification were conducted. The purpose of this report is to assess the applicability of these GFCs for LAW vitrification based on their properties. This report will help understand measured data and evaluate new GFCs for use. Moreover, this report may give useful insights to help troubleshoot any GFC and melter feed transport and mixing issues that arise during processing, leading to a successful cleanup mission at WTP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Low-temperature electroplating of zirconium: Ionic mixture methods

Non-aqueous ionic mixture electroplating allows for room-temperature or near-room-temperature applications of thin metal films, typically metals for which aqueous solvents cannot be used. While there are many methods of plating zirconium, each has disadvantages that ionic liquid plating could correct. However, ionic liquid plating requires further research and development, as a new class of solvents were only developed a few years ago. Current ionic liquids cost several thousand dollars per liter, yet produce films with less than 90% surface coverage as well as deposition of salt species that enable interdiffusion through the Zr. Film coverage needs to be increased while maintaining approximate room temperatures and lower solvent costs. Current ionic liquid technology has suffered from poor surface wetting and limited Zr diffusivity leading to dendrite formation which inhibits total surface coverage. Zr electroplating can be improved by application of room-temperature ionic mixtures as the plating medium. We have successfully demonstrated the capability to plate high-quality metallic zirconium layers using deep eutectic solvents (DES) and DES-ionic liquid (IL) mixtures. Plating thicknesses of up to 6 microns have been achieved, and the coatings are conformal to the substrate and not dendritic, with low contamination from the plating solution. Our current method uses the DES ethaline (a 1:2 ratio of choline chloride and ethylene glycol) to complex zirconium (IV) ions (present via the addition of ZrF4). We pulse plate the Zr from a bath with an overabundance of LiF, in accordance with prior literature. We have also had success in mixing the DES with ILs, such as Triethylsulfonium bis(trifluoromethylsulfonyl)imide, 1-Butyl-3-methylpyridinium bis(trifluormethylsulfonyl)imide, Methyl-trioctylammonium bis(trifluoromethylsulfonyl)imide, and Diethylmethyl(2-methoxyethyl)ammonium bis(trifluoromethylsulfonyl)imide.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Droplet burning of n-butyl acetate/n-heptane mixtures in the standard atmosphere: experiments and numerical modeling

Blending petroleum fuels with oxygenates is a common approach to stem the depletion of crude oil while also mitigating the impact of their combustion on the environment. It has recently been considered that n-butyl acetate (BA, C6H12O2 , boiling point of 399K) could be a viable oxygenate additive to diesel fuel. In this application it is important to determine the influence of the fractional amount of BA on burning of the mixture. This presentation considers this problem from an experimental and computational approach using n-heptane (C7H14 , boiling point of 372K) as an essentially single component surrogate for diesel fuel. The burning configuration considered was ostensibly spherical symmetry as promoted by burning droplets under conditions where forced and natural convection effects were minimized. In this configuration the droplet and flame are concentric spheres and soot aggregates are trapped in a shell structure between the droplet and flame. Measurements were made of the droplet, flame and soot shell diameters through video imaging of the burning process. The experimental results were used to validate a detailed numerical model of the spherically symmetric droplet burning process that incorporated a consistent combustion kinetic mechanism for BA/heptane mixtures, comprised of 402 species and 16,872 reactions inclusive of soot chemistry. A model for soot formation was also included in the simulation to predict formation of the soot shell. The simulations agreed well with measured droplet and flame diameters. It was found both experimentally and computationally that adding BA to heptane had a minimal effect on the mixture burning rate, while the flame was positioned closer to the droplet surface and the simulated soot volume fraction decreased. The implications of these results are discussed for using BA as a potential additive to diesel fuel.

09 BIOMASS FUELS↗
DOE OSTI2024

Oxygen Limit for Flammability of a Gas Mixture of Helium – Hydrogen – Oxygen in the U.S. Department of Energy Standard Canister

The radiolytic breakdown of residual free, physisorbed, and chemisorbed waters is anticipated in the sealed dry storage of spent nuclear fuel (SNF), releasing H 2 gas into the initial cover gas of helium. For aluminum-clad SNF (ASNF) in particular, the expected total hydrogen in the canister is enough to dominate the cover gas mixture if fully released, and based on experimental rates of H 2 generation, H 2 percentages exceeding the lower flammability limit appear likely. However, no evidence of radiolytic generation of O 2 has been observed to date, so the potential for flammability is averted due to the lack O 2 . Lack of oxygen has been credited for avoiding flammability in some existing storage and transportation approaches for SNF and other waste. This report reviews literature on flammability limits with a focus on the limiting oxygen concentration to provide technical underpinnings to refine a flammability criterion for gas mixtures of helium, hydrogen, and oxygen where the oxygen is expected to be the limiting species. While there is general consensus on H 2 flammability limits at standard temperature and pressure, the decay heat and gas generation within ASNF sealed dry storage canisters could push them to elevated temperatures and pressures, so the goal is to identify an oxygen threshold that will bound the behavior over the temperature and pressure range of the U.S. Department of Energy (DOE) Standard Canister. The information reviewed in this document supports the criterion that the oxygen concentration in a He-H 2 -O 2 mixture should be less than 1.5% to avoid flammability at temperatures and pressures relevant to sealed dry storage of ASNF in the DOE Standard Canister, i.e., up to 343°C (650°F) and 500 psig, respectively. Note that while data covering the full range of temperature at atmospheric pressure and nearly the full range of pressure at room temperature were available, data for the combined effects was available only at moderate temperatures and pressures; the recommended 1.5% O 2 threshold is based on the breadth of available data reported here and apparent trends therein.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Evaluating Lithium-Lead Mixtures for Increased Tritium Breeding in Fusion Energy Blanket Systems: Exploring the Impact of Composition and Temperature

This project investigates hypo- and hyper-eutectic liquid lithium-lead (PbLi) mixtures as a coolant in fusion blanket systems, with a focus on testing the compatibility of compositions with better tritium breeding ratios (TBR). The 12-month study concentrates on static corrosion experiments, comparing silicon carbide (SiC) corrosion rates in Li-rich and eutectic Li-Pb mixtures, and examining interactions between Mo and PbLi. The research seeks to determine the maximum operating temperatures for this material combination, acknowledging the balance between Li-Pb melting temperature and achievable TBR to unlock new opportunities for blanket design. This work lays the groundwork for future collaboration between Kyoto Fusioneering and Oak Ridge National Laboratory (ORNL). Findings could enhance the TBR of fusion blanket designs, and impact fusion energy development by confirming material compatibility between different Li-Pb mixtures with SiC and Mo at higher temperatures, including at temperatures relevant for very high-temperature blankets (1,000 °C), which could enable higher electricity conversion efficiencies and commercial applications using process heat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Calculation of monomer yields, verification of PG concentration approximation, catalyst comparison for neat aromatic RCF, SEM micrographs for postreaction pulps, yields of aqueous-phase sugar derivatives after PG-H2O RCF, reactor pressure transients, GPC comparing pre- and postreaction organic solvent composition, PG-H2O miscibility testing, GPC probing dimer/oligomer fractionation in PG-H2O mixtures for

Reductive catalytic fractionation (RCF) is an effective lignin-first biorefining method to extract lignin as a stabilized oil from lignocellulosic biomass. To realize RCF at scale, process modeling has shown that minimizing the use of exogenous organic solvents is critical. To this end, here we investigate the ability of lignin-derived monomers to act as either solvents or cosolvents for RCF. We begin by examining the influence of lignin-derived aromatic compounds (4-propylguaiacol, 4-propylphenol, and propylbenzene) on RCF monomer yields and subsequently extend our analysis to mixtures of 4-propylguaiacol and either methanol or water. We demonstrate that 4-propylguaiacol is an effective solvent for lignin extraction and depolymerization during RCF, especially when used in combination with water as a cosolvent. Cosolvent mixtures of 4-propylguaiacol and water enable up to 81% lignin extraction, monomer yields up to 25 wt %, and postreaction phase separation. However, unlike methanol, water as a cosolvent fails to inhibit aromatic ring hydrogenation when conducted over Ru/C as a catalyst, potentially leading to excess hydrogen consumption in a process utilizing this approach. Nonetheless, these results suggest a promising strategy for eliminating external organic solvents from RCF by utilizing mixtures of lignin-derived compounds and water as alternative extraction solvents.

biorefining↗
DOE OSTI2024

Probabilistic Mixture Model-Based Spectral Unmixing

Spectral unmixing attempts to decompose a spectral ensemble into the constituent pure spectral signatures (called endmembers) along with the proportion of each endmember. This is essential for techniques like hyperspectral imaging (HSI) used in environment monitoring, geological exploration, etc. Several spectral unmixing approaches have been proposed, many of which are connected to hyperspectral imaging. However, most extant approaches assume highly diverse collections of mixtures and extremely low-loss spectroscopic measurements. Additionally, current non-Bayesian frameworks do not incorporate the uncertainty inherent in unmixing. We propose a probabilistic inference algorithm that explicitly incorporates noise and uncertainty, enabling us to unmix endmembers in collections of mixtures with limited diversity. We use a Bayesian mixture model to jointly extract endmember spectra and mixing parameters while explicitly modeling observation noise and the resulting inference uncertainties. We obtain approximate distributions over endmember coordinates for each set of observed spectra while remaining robust to inference biases from the lack of pure observations and the presence of non-isotropic Gaussian noise. As a direct impact of our methodology, access to reliable uncertainties on the unmixing solutions would enable robust solutions to noise, as well as informed decision-making for HSI applications and other unmixing problems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Efficient Leaching of Metal Ions from Spent Li-Ion Battery Combined Electrode Coatings Using Hydroxy Acid Mixtures and Regeneration of Lithium Nickel Manganese Cobalt Oxide

Extensive use of Li-ion batteries in electric vehicles, electronics, and other energy storage applications has resulted in a need to recycle valuable metals Li, Mn, Ni, and Co in these devices. In this work, an aqueous mixture of glycolic and lactic acid is shown as an excellent leaching agent to recover these critical metals from spent Li-ion laptop batteries combined with cathode and anode coatings without adding hydrogen peroxide or other reducing agents. An aqueous acid mixture of 0.15 M in glycolic and 0.35 M in lactic acid showed the highest leaching efficiencies of 100, 100, 100, and 89% for Li, Ni, Mn, and Co, respectively, in an experiment at 120 °C for 6 h. Subsequently, the chelate solution was evaporated to give a mixed metal-hydroxy acid chelate gel. Pyrolysis of the dried chelate gel at 800 °C for 15 h could be used to burn off hydroxy acids, regenerating lithium nickel manganese cobalt oxide, and the novel method presented to avoid the precipitation of metals as hydroxide or carbonates. The Li, Ni, Mn, and Co ratio of regenerated lithium nickel manganese cobalt oxide is comparable to this metal ratio in pyrolyzed electrode coating and showed similar powder X-ray diffractograms, suggesting the suitability of α-hydroxy carboxylic acid mixtures as leaching agents and ligands in regeneration of mixed metal oxide via pyrolysis of the dried chelate gel.

Electrochemistry↗
DOE OSTI2023

Ethane-CO2 Mixture Adsorption in Silicalite: Influence of Tortuosity and Connectivity of Pores on Selectivity

Selective adsorption using nanoporous materials is an efficient strategy for separating gas mixtures. In a nanoporous material, pores can exist in different shapes and can have different degrees of inter-connectivity. In recent studies, both pore connectivity and tortuosity have been found to affect the adsorption and dynamical properties of ethane and CO2 in silicalite differently. Here, using Monte Carlo simulations, we investigate if these two attributes can affect the selective adsorption of one component from a mixture of ethane and CO2 in silicalite. For this, the adsorption of an equimolar mixture of ethane and CO2 is simulated in 12 models of silicalite—SnZm (n, m = 0, 1, 2, 3 or 4; with n and m denoting, respectively, the fraction (out of 4) of straight and zigzag channels of silicalite that are available for adsorption)—differing in degrees of pore connectivity and tortuosity. The adsorption selectivity in this system is found to exhibit a reversal with the adsorption dominated by ethane at low pressures (below ~1 atm) and by CO2 at higher pressures (above ~10 atm). Pore connectivity is found to suppress the selective adsorption of CO2 at higher pressures and also shifts the selectivity reversal to higher pressures. The selectivity reversal results from a competition between the polarizability-affected adsorption at lower pressures and efficient packing at higher pressures. The efficient packing of CO2 is a compounded effect resulting from the larger effective pore volume available for CO2 due to its stronger interaction with the pore surface and smaller molecular volume. CO2 molecules show a preference to adsorb in non-tortuous pores, and this preference is found to be stronger in the presence of ethane. The effects of pore connectivity and tortuosity elucidated here should be applicable to a wide range of natural and engineered nanoporous materials, and this knowledge could be used to identify materials with better capability for separating and storing CO2 based on their pore attributes.

Gautam, Siddharth (ORCID:0000000314435382)↗
DOE OSTI2020

Regenerable non-aqueous basic immobilized amine slurries for removal of CO2 from a gaseous mixture and a method of use thereof

The disclosure provides a composition for the separation of CO2 from a gaseous mixture and a method of use thereof. The composition comprises solid Basic Immobilized Amine Sorbents (BIAS) suspended in silicone oil. The method of use comprises contacting the gaseous mixture with a sorbent slurry comprising Basic Immobilized Amine Sorbents (BIAS) and silicone oil to at least partially absorb the CO2 from the gaseous mixture, and regenerating the BIAS slurry by causing desorption of the CO2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Separation of a target substance from a fluid or mixture using encapsulated sorbents

Method and apparatus for separating a target substance from a fluid or mixture. Capsules having a coating and stripping solvents encapsulated in the capsules are provided. The coating is permeable to the target substance. The capsules having a coating and stripping solvents encapsulated in the capsules are exposed to the fluid or mixture. The target substance migrates through the coating and is taken up by the stripping solvents. The target substance is separated from the fluid or mixture by driving off the target substance from the capsules.

Aines, Roger D.↗
DOE OSTI2022

Salt Hydrate Eutectic Mixtures for Near-ambient Thermal Energy Storage Applications

In this work, we synthesized and characterized Na2SO4.10H2O – Na2CO3.10H2O eutectic salt hydrate phase change material (PCM) using Differential Scanning Calorimetry (DSC), Attenuated total reflectance infrared spectroscopy (ATR-IR), and X-ray Diffraction (XRD) techniques. The eutectic point of the PCM mixture was predicted based on binary eutectic effect and ion exchange theory. The XRD and ATR-IR results indicate that the eutectic PCM mixture was formed based on only physical mixing without chemical interaction. Moreover, DSC results showed that the eutectic concentration is 50wt% Na2SO4.10H2O – 50wt% Na2CO3.10H2O with melting temperature of 25.18°C and melting enthalpy of 187.46 J/g. Also, 78% of melting enthalpy was recoverable after 10 melt/freeze cycles. This eutectic mixture has the potential to be used in building thermal comfort applications.

Gluesenkamp, Kyle↗
DOE OSTI2024

Thermal-hydraulic Performance of Emerging Low GWP Refrigerant Mixture under Flow Boiling in Brazed Plate Heat Exchangers

The hydrofluorocarbon (HFC) refrigerants used in the current refrigeration systems are facing a phase-down due to their higher greenhouse effect resulting in global warming, and thus HVAC&R industry has undergone a transition to low Global Warming Potential (GWP) refrigerants. Refrigerant mixtures are attractive alternatives since their composition can be tailored to comply with environmental regulations while preserving favorable thermophysical properties. However, the new low-GWP zeotropic mixture refrigerants have two or more components with different saturation temperatures at the same pressure level, known as temperature glide, which can cause the degradation of the overall heat transfer performance. The brazed plate heat exchangers (BPHX) provide excellent heat transfer performance due to a compact design and are used in several air-conditioning and refrigeration applications. In this study, flow boiling heat transfer and the associated pressure drop of the refrigerant mixture in a vertical BPHX were experimentally investigated. The single-phase water-to-water experiments were conducted in the tested heat exchanger with a counter-flow configuration. The flow boiling experiments charged with R-134a and R-454C were then performed in a pumped refrigerant loop to evaluate its thermal-hydraulic performance. Furthermore, parametric studies of various heat fluxes, mass fluxes, vapor qualities, and saturation temperatures were also conducted.

Yang, Cheng-Min↗
DOE OSTI2025

Hydrochlorination of Uranium Dioxide in a Molten Salt Mixture - Phase 1: Tube Furnace Cross Flow Experiments

In 2023, Metatomic® Inc., a South Carolina based company, was awarded a Gateway for Advanced Innovation in Nuclear (GAIN) research voucher for a proposed series of experiments aimed at demonstrating the viability of a spent nuclear fuel (SNF) recycling process patented by Met atomic® Inc. For the GAIN voucher, Metatomic® Inc. selected Savannah River National Laboratory (SRNL) as a partner in executing the proposed proof-of-concept experiments. This report outlines the proof-of-concept experiments performed by SRNL for Metatomic® Inc. during Phase 1 (of 2) experimentation. The Phase 1 hydrochlorination experiments consisted of weighing UO2 into alumina crucibles with a eutectic mixture of NaCl and CsCl, heating the uranium/salt mixture to a varied temperature (550, 650, or 750 °C), and flowing anhydrous hydrogen chloride (AHCl) gas across the surface of the uranium-bearing molten salt mixture. The hydrochlorination process conditions were maintained for 4-5 hours and the percent conversion for each batch of UO2 was determined using a suite of analytical characterization techniques. The degree of UO2 conversion was found to be greatest at the highest tested temperature, ultimately achieving 32.9% conversion of UO2 to water soluble uranium-chloro species (e.g., UO2Cl2, UCl4) after exposure to AHCl for 4.25 hours at 750 °C.

Nguyen, Vinh T. [Savannah River National Laborator↗
DOE OSTI2020

Nonlinear Logistic Regression Mixture Experiment Modeling for Binary Data Using Dimensionally Reduced Components

This article presents and illustrates an approach using nonlinear logistic regression for modeling binary response data from a mixture experiment when the components can be partitioned into groups used to form dimensionally-reduced pseudocomponents (DRPs). A DRP is a linear combination of the components in a group, where the linear combinations over all groups are normalized so that the DRP proportions sum to unity. Nonlinear logistic regression is required because, after normalization of the linear combinations, the model expressed in terms of the DRPs is nonlinear in the parameters that specify the linear combinations. A method for obtaining nonparametric tolerance limits on the probability of a “success” for the binary response variable using a bootstrap approach is also presented. Having three DRPs enables viewing data and modeling results on a ternary plot even though there may be many more than three mixture components. A real database, involving whether or not nepheline crystals form in simulated nuclear waste glass after cooling, is used to illustrate the nonlinear logistic regression modeling and nonparametric tolerance limit approaches when there are three DRPs.

Waste glass, Nepheline, Mixture experiment, Logist↗
DOE OSTI2021

The repulsive Casimir-type forces in binary mixture of weakly interacting Bose–Einstein condensates gases

Highlights: • The equations of the state of a binary mixture weakly interacting Bose gases are established based on the Lagrangian of the system. • The formulae of the Casimir-type energy and the resulting Casimir-type force are produced from the quantum part of the grand canonical energy. • The results for the Casimir-type effect in the one-field case can be re-obtained by using the results of the two-field case. Within the framework of the quantum field theory (QFT) in the one-loop approximation, we investigate the Casimir-type effect in a mixture of two-component weakly interacting Bose-Einstein condensates (BECs) gases confined between two parallel plates at zero temperature. The Casimir-type forces in the miscible state of BECs for different boundary conditions (BCs) are discovered and compared to each other. The repulsive nature of the Casimir-type force in BECs is defined for the first time. Our calculations are finished in both grand canonical ensemble (GCE) and canonical ensemble (CE).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗