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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Helium–Xenon mixtures to improve the topological signature in high pressure gas xenon TPCs

Within the framework of xenon-based double beta decay experiments, we propose the possibility to improve the background rejection of an electroluminescent Time Projection Chamber (EL TPC) by reducing the diffusion of the drifting electrons while keeping nearly intact the energy resolution of a pure xenon EL TPC. Additionally, based on state-of-the-art microscopic simulations, a substantial addition of helium, around 10 or 15 %, may reduce drastically the transverse diffusion down to 2.5 mm/ $\sqrt{m}$ from the 10.5 mm/ $\sqrt{m}$ of pure xenon. The longitudinal diffusion remains around 4 mm/ $\sqrt{m}$. Light production studies have been performed as well. They show that the relative variation in energy resolution introduced by such a change does not exceed a few percent, which leaves the energy resolution practically unchanged. Lastly, the technical caveats of using photomultipliers close to an helium atmosphere are also discussed in detail.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Direct numerical simulations of three-component Rayleigh–Taylor mixing and an improved model for multicomponent reacting mixtures

We present direct numerical simulations of a three-layer Rayleigh–Taylor instability (RTI) problem with a configuration based on the experiments of Suchandra & Ranjan ( J. Fluid Mech. , vol. 974, 2023, A35) and Jacobs & Dalziel ( J. Fluid Mech. , vol. 542, 2005, pp. 251–279). The problem consists of a layer of light fluid between two layers of heavy fluid with an Atwood number of 0.3. These simulations are first validated through comparison with available experimental data. The validated simulations are then utilized to analyse statistics in this three-component flow. First, length scales are examined utilizing spectra and two-point spatial correlations of velocity and species concentration fluctuations. Next, joint probability density functions (p.d.f.s) of species concentration are compared against several model p.d.f.s representing generalizations of the bivariate beta distribution. Notably, the joint p.d.f.s do not appear to be accurately described by a Dirichlet distribution, indicating the marginal distributions do not conform to a beta distribution. Finally, similarity of the present configuration to three-component mixing found in inertial confinement fusion (ICF) applications is exploited to develop and validate an improved model for the impact of multicomponent mixing on thermonuclear (TN) reaction rates. A single time instant from the present simulations is chosen for a TN burn calculation under the hypothetical assumption of ICF materials and temperatures. Total TN output from this second calculation is then compared against the prediction of the improved model. The new model is found to accurately predict TN reaction rates in both premixed and non-premixed configurations.

42 ENGINEERING↗
DOE OSTI2025

G-Mapper: Learning a Cover in the Mapper Construction

The Mapper algorithm is a visualization technique in topological data analysis (TDA) that outputs a graph reflecting the structure of a given dataset. However, the Mapper algorithm requires tuning several parameters in order to generate a “nice” Mapper graph. This paper focuses on selecting the cover parameter. We present an algorithm that optimizes the cover of a Mapper graph by splitting a cover repeatedly according to a statistical test for normality. Our algorithm is based on G-means clustering, which searches for the optimal number of clusters in 𝑘-means by iteratively applying the Anderson–Darling test. Our splitting procedure employs a Gaussian mixture model to carefully choose the cover according to the distribution of the given data. In conclusion, experiments for synthetic and real-world datasets demonstrate that our algorithm generates covers so that the Mapper graphs retain the essence of the datasets, while also running significantly faster than a previous iterative method.

G-means clustering↗
NASA NTRS1999

Waves in Radial Gravity Using Magnetic Fluid

Terrestrial laboratory experiments studying various fluid dynamical processes are constrained, by being in an Earth laboratory, to have a gravitational body force which is uniform and unidirectional. Therefore fluid free-surfaces are horizontal and flat. Such free surfaces must have a vertical solid boundary to keep the fluid from spreading horizontally along a gravitational potential surface. In atmospheric, oceanic, or stellar fluid flows that have a horizontal scale of about one-tenth the body radius or larger, sphericity is important in the dynamics. Further, fluids in spherical geometry can cover an entire domain without any sidewall effects, i.e. have truly periodic boundary conditions. We describe spherical body-force laboratory experiments using ferrofluid. Ferrofluids are dilute suspensions of magnetic dipoles, for example magnetite particles of order 10 nm diameter, suspended in a carrier fluid. Ferrofluids are subject to an additional body force in the presence of an applied magnetic field gradient. We use this body force to conduct laboratory experiments in spherical geometry. The present study is a laboratory technique improvement. The apparatus is cylindrically axisymmetric. A cylindrical ceramic magnet is embedded in a smooth, solid, spherical PVC ball. The geopotential field and its gradient, the body force, were made nearly spherical by careful choice of magnet height-to-diameter ratio and magnet size relative to the PVC ball size. Terrestrial gravity is eliminated from the dynamics by immersing the "planet" and its ferrofluid "ocean" in an immiscible silicone oil/freon mixture of the same density. Thus the earth gravity is removed from the dynamics of the ferrofluid/oil interface and the only dynamically active force there is the radial magnetic gravity. The entire apparatus can rotate, and waves are forced on the ferrofluid surface by exterior magnets. The biggest improvement in technique is in the wave visualization. Fluorescing dye is added to the oil/freon mixture and an argon ion laser generates a horizontal light that can be scanned vertically. Viewed from above, the experiment is a black circle with wave deformations surrounded by a light background. A contour of the image intensity at any light sheet position gives the surface of the ferrofluid "ocean" at that "latitude". Radial displacements of the waves as a function of longitude are obtained by subtracting the contour line positions from a no-motion contour at that laser sheet latitude. The experiments are run by traversing the forcing magnet with the laser sheet height fixed and images are frame grabbed to obtain a time-series at one latitude. The experiment is then re-run with another laser-sheet height to generate a full picture of the three-dimensional wave structure in the upper hemisphere of the ball as a function of time. We concentrate here on results of laboratory studies of waves that are important in Earth's atmosphere and especially the ocean. To get oceanic scaling in the laboratory, the experiment must rotate rapidly (4-second rotation period) so that the wave speed is slow compared to the planetary rotation speed as in the ocean. In the Pacific Ocean, eastward propagating Kelvin waves eventually run into the South American coast. Theory predicts that some of the wave energy should scatter into coastal-trapped Kelvin waves that propagate north and south along the coast. Some of this coastal wave energy might then scatter into mid-latitude Rossby waves that propagate back westward. Satellite observations of the Pacific Ocean sea-surface temperature and height seem to show signatures of westward propagating mid-latitude Rossby waves, 5 to 10 years after the 1982-83 El Nino. The observational data is difficult to interpret unambiguously owing to the large range of motions that fill the ocean at shorter timescales. This series of reflections giving eastward, north- ward, and then westward traveling waves is observed cleanly in the laboratory experiments, confirming the theoretical expectations.

Ohlsen, D. R.↗
DOE OSTI2016

Strain induced novel quantum magnetotransport properties of topological insulators

Recent theoretical and experimental researches have revealed that the strained bulk HgTe can be regarded as a three-dimensional topological insulator (TI). Motivated by this, we explore the strain effects on the transport properties of the HgTe surface states, which are modulated by a weak 1D in-plane electrostatic periodic potential in the presence of a perpendicular magnetic field. We analytically derive the zero frequency (dc) diffusion conductivity for the case of quasielastic scattering in the Kubo formalism, and find that, in strong magnetic field regime, the Shubnikov–de Haas oscillations are superimposed on top of the Weiss oscillations due to the electric modulation for null and finite strain. Furthermore, the strain is shown to remove the degeneracy in inversion symmetric Dirac cones on the top and bottom surfaces. This accordingly gives rise to the splitting and mixture of Landau levels, and the asymmetric spectrum of the dc conductivity. These phenomena, not known in a conventional 2D electron gas and even in a strainless TI and graphene, are a consequence of the anomalous spectrum of surface states in a fully stained TI. These results should be valuable for electronic and spintronic applications of TIs, and thus we fully expect to see them in the further experiment. - Highlights: • The strain removes the degeneracy in inversion symmetric Dirac cones. • The strain gives rise to the splitting and mixture of the Landau levels. • The strain leads to the asymmetric spectrum of the dc conductivity. • Shubnikov de Haas oscillations are shown to be superimposed on Weiss oscillations. • Interplay between strain and electric field causes different occupancy of TI states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Reduced Order Models for Liquid Hydrogen Pooling and Vaporization Supported by Experiments

In the event of a leak of liquid hydrogen, a pool can form that vaporizes, disperses, and eventually dilutes to a non-flammable mixture. In this work, we describe fast-running models for the pooling and vaporization of liquid hydrogen in a steady cross-wind. Several pooling models from the literature are compared to solve for the flow and extent of the pool. The size of the pool can serve as the source for a separate dispersion model, which builds upon the existing one-dimensional Gaussian plume model in HyRAM+. Additional terms for the effects of a cross-wind on momentum and entrainment were added so that the model could handle the effects of a cross-wind on a low-speed flow. The models are compared to experimental data on pooling extent and downwind dispersion for steady flow rates of liquid hydrogen in a steady cross-wind. In the two compared experiments, liquid flow rates of 15 and 45 g/s were spilled onto concrete in cross-winds of approximately 1.8 m/s. The rate of growth of the pool and the downwind concentration boundaries are compared to the models, showing good agreement, although additional tuning is needed. These models can contribute to the advancement of codes and standards for liquid hydrogen systems.

dispersion↗
DOE OSTI2020

Impact of particle arrays on phase separation composition patterns

We examine the symmetry-breaking effect of fixed constellations of particles on the surface-directed spinodal decomposition of binary blends in the presence of particles whose surfaces have a preferential affinity for one of the components. Our phase-field simulations indicate that the phase separation morphology in the presence of particle arrays can be tuned to have a continuous, droplet, lamellar, or hybrid morphology depending on the interparticle spacing, blend composition, and time. In particular, when the interparticle spacing is large compared to the spinodal wavelength, a transient target pattern composed of alternate rings of preferred and non-preferred phases emerges at early times, tending to adopt the symmetry of the particle configuration. We reveal that such target patterns stabilize for certain characteristic length, time, and composition scales characteristic of the pure phase-separating mixture. To illustrate the general range of phenomena exhibited by mixture-particle systems, we simulate the effects of single-particle, multi-particle, and cluster–particle systems having multiple geometrical configurations of the particle characteristic of pattern substrates on phase separation. Our simulations show that tailoring the particle configuration, or substrate pattern configuration, a relative fluid-particle composition should allow the desirable control of the phase separation morphology as in block copolymer materials, but where the scales accessible to this approach of organizing phase-separated fluids usually are significantly larger. Limited experiments confirm the trends observed in our simulations, which should provide some guidance in engineering patterned blend and other mixtures of technological interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Laboratory simulation of interstellar grain chemistry and the production of complex organic molecules

During the past 15 years considerable progress in observational techniques has been achieved in the middle infrared (5000 to 500 cm(-1), 2 to 20 microns m), the spectral region most diagnostic of molecular vibrations. Spectra of many different astronomical infrared sources, some deeply embedded in dark molecular clouds, are now available. These spectra provide a powerful probe, not only for the identification of interstellar molecules in both the gas solid phases, but also of the physical and chemical conditions which prevail in these two very different domains. By comparing these astronomical spectra with the spectra of laboratory ices one can determine the composition and abundance of the icy materials frozen on the cold (10K) dust grains present in the interior of molecular clouds. These grains and their ice mantles may well be the building blocks from which comets are made. As an illustration of the processes which can take place as an ice is irradiated and subsequently warmed, researchers present the infrared spectra of the mixture H2O:CH3OH:CO:NH3:C6H14 (100:50:10:10:10). Apart from the last species, the ratio of these compounds is representative of the simplest ices found in interstellar clouds. The last component was incorporated into this particular experiment as a tracer of the behavior of a non-aromatic hydrocarbon. The change in the composition that results from ultraviolet photolysis of this ice mixture using a UV lamp to simulate the interstellar radiation field is shown. Photolysis produces CO, CO2, CH4, HCO, H2CO, as well as a family of moderately volatile hydrocarbons. Less volatile carbonaceous materials are also produced. The evolution of the infrared spectrum of the ice as the sample is warmed up to room temperature is illustrated. Researchers believe that the changes are similar to those which occur as ice is ejected from a comet and warmed up by solar radiation. The warm-up sequence shows that the nitrile or iso-nitrile bearing compound produced during photolysis evaporates between 200 and 250K, suggesting that it is carried by a small molecular species. These molecules could be similar to the source material in Comet Halley that is ejected in grains into the coma, freed by sublimation, and photolyzed by solar radiation to produce the observed jets.

Allamandola, L. J.↗
DOE OSTI2015

Resolving and Measuring Diffusion in Complex Interfaces: Exploring New Capabilities

This exploratory LDRD targeted the use of a new high resolution spectroscopic diffusion capabilities developed at Sandia to resolve transport processes at interfaces in heterogeneous polymer materials. In particular, the combination of high resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) spectroscopy with pulsed field gradient (PFG) diffusion experiments were used to directly explore interface diffusion within heterogeneous polymer composites, including measuring diffusion for individual chemical species in multi-component mixtures. Several different types of heterogeneous polymer systems were studied using these HRMAS NMR diffusion capabilities to probe the resolution limitations, determine the spatial length scales involved, and explore the general applicability to specific heterogeneous systems. The investigations pursued included a) the direct measurement of the diffusion for poly(dimethyl siloxane) polymer (PDMS) on nano-porous materials, b) measurement of penetrant diffusion in additive manufactures (3D printed) processed PDMS composites, and c) the measurement of diffusion in swollen polymers/penetrant mixtures within nano-confined aluminum oxide membranes. The NMR diffusion results obtained were encouraging and allowed for an improved understanding of diffusion and transport processes at the molecular level, while at the same time demonstrating that the spatial heterogeneity that can be resolved using HRMAS NMR PFG diffusion experiment must be larger than ~μm length scales, expect for polymer transport within nanoporous carbons where additional chemical resolution improves the resolvable heterogeneous length scale to hundreds of nm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Numerical Investigation of Spark Ignition Events in Lean and Dilute Methane/Air Mixtures using a Detailed Energy Deposition Model

It is beneficial but challenging to operate spark-ignition engines under highly lean and dilute conditions. The unstable ignition behavior can result in downgraded combustion performance in engine cylinders. Numerical approach is serving as a promising tool to identify the ignition requirements by providing insight into the complex physical/chemical phenomena. An effort to simulate the early stage of flame kernel initiation in lean and dilute fuel/air mixture has been made and discussed in this paper. The simulations are set to validate against laboratory results of spark ignition behavior in a constant volume combustion vessel. In order to present a practical as well as comprehensive ignition model, the simulations are performed by taking into consideration the discharge circuit analysis, the detailed reaction mechanism, and local heat transfer between the flame kernel and spark plug. The energy profile and the energy source geometry are investigated in detail to represent the physics of electrical discharge. It was observed in the experiments that a sufficiently high ambient pressure is necessary for a successful ignition event in the lean and dilute mixture when the spark plug gap size and primary energy input are held constant. By adopting realistic energy levels, this detailed energy deposition model showed the capability to reasonably present such ignition behavior transition. The unique combination of energy deposition profile and geometry reveals the complexity of electrical discharge during the spark ignition event. The response of the combustible gas to the energy deposition showed dependency on the volumetric energy density, energy source’s surface area, temperature gradient at the energy source boundary, as well as the heat transfer condition local to the flame kernel.

Zhang, Anqi↗
DOE OSTI2023

Bentonite buffer under high temperature: laboratory experiments and coupled process modeling

Abstract. Bentonite buffer in a geological repository will be simultaneously heated from decaying radioactive waste and hydrated from the surrounding host rock, triggering complex and coupled THMC (thermal–hydrological–mechanical–chemical) processes. Understanding the THMC behavior of bentonite-based engineered barrier system (EBS) is key to the evaluation and prediction of its long-term performance. Studies on the THMC process have been focused on conditions under 100 ∘C, as most design concepts impose a thermal limit of 100 ∘C in bentonite. Recently, studies under high-temperature conditions have been conducted to evaluate the possibility of raising the thermal limit and expanding the data/knowledge base to increase the confidence level. In this abstract, we present a series of bench-scale laboratory experiments at high temperatures (up to 200 ∘C) and the corresponding modeling work. Two sets of column tests were conducted, and each set consisted of two test columns: a control column undergoing only hydration (non-heated) and an experiment column experiencing both heating and hydration (heated). During the experiment, frequent X-ray computed tomography (CT) images were collected to provide a 3D visualization of the density distribution and present the spatiotemporal evolution of (1) hydration/dehydration, (2) clay swelling/shrinkage, (3) displacement, and (4) mineral precipitation. The two sets of tests differ with respect to several experimental conditions, such as bentonite type, compacted density and water content, water chemistry, and hydration pressure, but the important difference is that the first set used bentonite powder with a dry density of 1.28 g cm−3, whereas the second set used granulated bentonite (mixture of pellets and powder) with a dry density of 1.45–1.5 g cm−3. In both sets of experiments, a comprehensive post-dismantling characterization of bentonite samples was carried out after the column tests had been running for 1.5 years. Comparing non-heated and heated columns, the temperature gradient led to lower degree of homogenization of bentonite after bentonite became fully saturated; comparing the first and second sets, granulated and powdered bentonite exhibited drastically different hydration behavior. A THM model with a 2D axisymmetric grid system was used to interpret the data from the first set of tests. The model considers the combined impact of saturation, fluid pressure, and porosity change due to swelling/compression on the spatiotemporal distribution of bulk density and movement of the thermocouple modules. Observations from the tests help us understand the early perturbation of bentonite buffer under high temperature, and data from these tests improve the calibration of key constitutive hydrological and mechanical models and, therefore, enhance the modeling capability with respect to calculating the long-term evolution of bentonite buffer.

Zheng, Liange↗
DOE OSTI2019

DOE NETL Gas Hydrate Project FWP 65213: Kinetic Parameters for the Exchange of Hydrate Formers (Final Report)

This report documents the research activities sponsored by the U.S. Department of Energy, National Energy Technology Laboratory (NETL), by the Pacific Northwest National Laboratory (PNNL) for the gas hydrate project entitled, “Kinetic Parameters for the Exchange of Hydrate Formers.” This project started June 1, 2013 and concluded December 31, 2018, and comprised five budget periods, under FWP-65213. The overarching goal of this project was to gain an improved understanding of the dynamic processes of gas hydrate accumulations in geologic media by combining laboratory studies, numerical simulation, and analysis of shipboard infrared imaging of hydrate core samples. This project comprised four principal components: 1) fundamental laboratory investigations, 2) numerical simulator development and verification, 3) hydrate core characterization and analysis, and 4) applied laboratory and numerical investigations. Laboratory and field experiments have demonstrated the four core methodologies for producing natural gas hydrates from geologic formations: 1) depressurization, 2) thermal stimulation, 3) inhibitor injection, and 4) guest molecule exchange. Converting these methodologies into viable commercial technologies remains challenging, either from an economic or technical perspective. This project was largely focused with the technical challenges associated with the guest molecule exchange method, which is often referred to as gas swapping. Previous research by PNNL had shown that gas swapping with pure CO 2 was not feasible, as first originally thought, principally due to the formation of secondary hydrates, which clogged or reduced the effective permeability of the hydrate-bearing formation. This research was directed at discovering the potential for using mixtures of gases to affect the gas swapping methodology at commercial scales. The Ignik Sikumi Gas Hydrate Field Trial demonstrated the injection of a N 2 -CO 2 gas mixture into a natural gas hydrate bearing layer, and exchange behavior with the CH 4 hydrate former or guest molecules. The original concept behind the use of a N 2 -CO 2 was to maintain gas conditions at the reservoir state. Pure CO 2 would have existed under supercritical conditions, with an associated density closer to a liquid than gas. One of the key outcomes from this research project has been the discovery, through laboratory experiments and numerical simulation, that gas mixtures, especially those with components having different gas hydrate equilibria conditions provide a control option for the guest molecule exchange methodology. For example, the dissociation or formation of hydrate could be controlled by adjusting the composition of the gas mixture. This research project was dynamic in that the discoveries during each budget period would set the course of research during successive budget periods. Therefore, this report is arranged in chronological order progressing through the five budget periods of the project.

03 NATURAL GAS↗
DOE OSTI2017

Advancing Coal Catalytic Gasification to Promote Optimum Syngas Production

An investigation was pursued to improve the use of low rank sub-bituminous coal by using suitable catalysts to advance gasification and create cleaner synthesis gas. Bench- and pilot-scale experiments were performed to measure key reactive properties and verify the use of red mud catalyst. The experiments provided reaction data for the development of kinetic models and validation data for CFD simulations. The reaction kinetics were analyzed to provide an understanding of the major pathways involved and identify the necessary reaction mechanisms needed for the computational models. The reaction kinetics model was implemented into the computational fluid dynamics (CFD) code MFiX to simulate, predict and validate the chemistry model with the experiments. It was shown that red mud as a catalyst lowered methane formation during coal gasification. Additional benefits were that red mud destroyed tars formation, promoted water gas shift reaction resulting in a syngas rich in hydrogen. In the presence of red mud catalyst, biomass feedstocks high in ash did not form clinker in the fluidized bed because it prevented the formation of eutectic mixtures. The reaction kinetics model was reasonably robust and the CFD predictions using the model were in good agreement with the experiments.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2001

The fungicidal and phytotoxic properties of benomyl and PPM in supplemented agar media supporting transgenic arabidopsis plants for a Space Shuttle flight experiment

Fungal contamination is a significant problem in the use of sucrose-enriched agar-based media for plant culture, especially in closed habitats such as the Space Shuttle. While a variety of fungicides are commercially available, not all are equal in their effectiveness in inhibiting fungal contamination. In addition, fungicide effectiveness must be weighed against its phytotoxicity and in this case, its influence on transgene expression. In a series of experiments designed to optimize media composition for a recent shuttle mission, the fungicide benomyl and the biocide "Plant Preservative Mixture" (PPM) were evaluated for effectiveness in controlling three common fungal contaminants, as well as their impact on the growth and development of arabidopsis seedlings. Benomyl proved to be an effective inhibitor of all three contaminants in concentrations as low as 2 ppm (parts per million) within the agar medium, and no evidence of phytotoxicity was observed until concentrations exceeded 20 ppm. The biocide mix PPM was effective as a fungicide only at concentrations that had deleterious effects on arabidopsis seedlings. As a result of these findings, a concentration of 3 ppm benomyl was used in the media for experiment PGIM-01 which flew on shuttle Columbia mission STS-93 in July 1999.

Non-NASA Center↗
DOE OSTI2024

Ionic Pairs-Engineered Fluorinated Covalent Organic Frameworks Toward Direct Air Capture of CO 2

The covalent organic frameworks (COFs) possessing high crystallinity and capability to capture low-concentration CO 2 (400 ppm) from air are still underdeveloped. The challenge lies in simultaneously incorporating high-density active sites for CO 2 insertion and maintaining the ordered structure. Herein, a structure engineering approach is developed to afford an ionic pair-functionalized crystalline and stable fluorinated COF (F-COF) skeleton. The ordered structure of the F-COF is well maintained after the integration of abundant basic fluorinated alcoholate anions, as revealed by synchrotron X-ray scattering experiments. The breakthrough test demonstrates its attractive performance in capturing (400 ppm) CO 2 from gas mixtures via O$-$C bond formation, as indicated by the in situ spectroscopy and operando nuclear magnetic resonance spectroscopy using 13 C-labeled CO 2 sources. Both theoretical and experimental thermodynamic studies reveal the reaction enthalpy of ≈-40 kJ mol -1 between CO 2 and the COF scaffolds. This implies weaker interaction strength compared with state-of-the-art amine-derived sorbents, thus allowing complete CO 2 release with less energy input. The structure evolution study from synchrotron X-ray scattering and small-angle neutron scattering confirms the well-maintained crystalline patterns after CO 2 insertion. In conclusion, the as-developed proof-of-concept approach provides guidance on anchoring binding sites for direct air capture (DAC) of CO 2 in crystalline scaffolds.

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

Exploratory Investigation of Coal in Nonequilibrium Plasma

Coal is an abundant natural resource and there is motivation to find new uses for it that do not intrinsically involve combustion. One approach is to explore new ways of processing coal, and in this work, we focus on the transformation of coal in a nonequilibrium plasma generated from an equimolar mixture of nitrogen and hydrogen. The outcome of the nonequilibrium plasma reaction is fundamentally different than a thermal control reaction carried out using the same gas composition, pressure, and temperature range. The nonequilibrium plasma produces a gas mixture that is enriched in acetylene and its derivatives. Furthermore, when compared to the thermal control experiment, the solid char byproduct of the nonequilibrium plasma has a very reactive surface and is spontaneously combustible at ambient temperature. Experiments performed to characterize the reaction kinetics of coal in the plasma suggest that the mechanism proceeds through a sequential process by which the coal particle temperature rises to a point where devolatilization can occur, the devolatilization reaction happens, followed by parallel reactions of released organic vapors in the plasma phase and surface activation. In conclusion, the reaction rate appears to be limited by the time it takes for the coal particle temperature to rise, consistent with previous results reported for reactions of coal in thermal plasma.

Acetylene↗
DOE OSTI2013

Postshock Spectral Radiance Measurements in Nickel and Nickel/Aluminum Powders [Book Chapter]

Because of complications associated with temperature heterogeneities in shocked metal powders, time-resolved radiation pyrometer measurements of shock temperatures in powders with particle sizes greater than a few tens of microns cannot be made under normal laboratory conditions with uniaxial loading durations limited to about one microsecond. Fortunately, for highly porous, reactive powders, the difference between shock and postshock temperature is negligible. For loading conditions similar to those that have yielded reaction products in recovery experiments, there is no evidence of any chemical reaction in a coarse (-325 mesh) nickel/aluminum powder mixture within the first 6 μs of shock arrival, based on constraints on postshock temperatures provided by thermal radiation measurements. This result is in contrast to that for a micron-sized nickel/aluminum mixture, for which there is evidence of significant reaction on a time scale of 100 ns under similar shock loading conditions.

42 ENGINEERING↗
DOE OSTI2022

Mechanistic study of chemical looping reactions between solid carbon fuels and CuO

Copper (Cu) based chemical-looping combustion (CLC) is a promising process that utilizes solid carbon fuel such as coal and biomass. Understanding the reaction kinetics in this process can facilitate the industrial design of CLC units. Here, in this work, molecular dynamics (MD) simulations were performed to investigate the reaction kinetics of n-butane and two simplified solid carbon fuels (lignite and anthracite) with/without copper oxide (CuO) nanoparticle. In addition, experiments were conducted on the thermal characteristics, flammability, and flame speeds of CuO and solid carbon mixtures. For n-butane, oxidation on the CuO surface is the primary reaction since the activation energy of the surface reaction is much lower than that of oxygen (O 2 ) combustion (9.2 vs. 53.3 kcal/mol). On the other hand, for lignite, there is a smaller difference in the activation energy of O 2 combustion and surface reaction (23.04 vs. 6.34 kcal/mol). We hypothesize that some solid carbon fuels can have different reaction kinetics dependent upon temperature. This is proven by the case of a simplified anthracite coal: an Arrhenius plot shows that this solid carbon fuel has two different reaction kinetic regimes and the critical temperature for the change in kinetics is related to the oxygen uncoupling of the CuO nanoparticle. Like the modeling simulations, a change in activation energy is observed in the experimental results, where desorption of molecular oxygen from CuO becomes important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗