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At least 271 records · Page 15

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DOE OSTI2023

Comprehensive two-dimensional gas chromatography under low-pressure conditions

The analysis of thermally labile and high-boiling point compounds by gas chromatography (GC) can be a challenge. One technique to overcome these challenges is low-pressure GC, which uses the vacuum produced from the mass spectrometer and wide-bore columns to elute compounds at significantly lower temperatures. While GC-MS is a powerful technique, comprehensive two-dimensional gas chromatography (GC × GC), allows for resolution of compounds that would typically coelute using GC. Here, in this study, a pesticide standard mixture (8270 MegaMix Standard) was analyzed using a conventional GC × GC-TOFMS configuration (0.25 mm inner diameter (i.d.) to a 0.18 mm i.d. column) and low-pressure GC × GC-TOFMS configuration (0.53 mm i.d. to a 0.53 mm i.d. column). Elution temperatures, sensitivity, and peak capacity were investigated for both configurations. Compounds eluted an average of 30 °C less on the low-pressure GC × GC-TOFMS configuration compared to the conventional GC × GC-TOFMS configuration. Moreover, the compounds were separated in ~13 min on the low-pressure GC × GC-TOFMS as opposed to 33 min for conventional GC × GC-TOFMS. However, due to the wide-bore columns and faster runtimes the low-pressure GC × GC-TOFMS had a lower, β corrected 2D peak capacity, n c,β,2D , of 1260 while the conventional GC × GC-TOFMS was 3588. Interestingly, both configurations yielded a similar peak capacity production of 93 peaks/min and 107 peaks/min for low-pressure and conventional GC × GC-TOFMS, respectively. A “real world” sample of diesel fuel was tested on the low-pressure and conventional GC × GC-TOFMS configurations and similar results were obtained compared to the pesticide standard mix except the peak capacity production of the low-pressure GC × GC-TOFMS configuration was higher than that of the conventional GC × GC-TOFMS method.

47 OTHER INSTRUMENTATION↗

NASA NTRS2003

Mixing enhancement using axial flow

A method and an apparatus for enhancing fluid mixing. The method comprises the following: (a) configuring a duct to have an effective outer wall, an effective inner wall, a cross-sectional shape, a first cross-sectional area and an exit area, the first cross-sectional area and the exit area being different in size; (b) generating a first flow at the first cross-sectional area, the first flow having a total pressure and a speed equal to or greater than a local speed of sound; and (c) generating a positive streamwise pressure gradient in a second flow in proximity of the exit area. The second flow results from the first flow. Fluid mixing is enhanced downstream from the duct exit area.

Papamoschou, Dimitri↗

NASA NTRS2002

Performance of a Model Rich Burn-quick Mix-lean Burn Combustor at Elevated Temperature and Pressure

As interest in pollutant emission from stationary and aero-engine gas turbines increases, combustor engineers must consider various configurations. One configuration of increasing interest is the staged, rich burn - quick mix - lean burn (RQL) combustor. This report summarizes an investigation conducted in a recently developed high pressure gas turbine combustor facility. The model RQL combustor was plenum fed and modular in design. The fuel used for this study is Jet-A which was injected from a simplex atomizer. Emission (CO2, CO, O2, UHC, NOx) measurements were obtained using a stationary exit plane water-cooled probe and a traversing water-cooled probe which sampled from the rich zone exit and the lean zone entrance. The RQL combustor was operated at inlet temperatures ranging from 367 to 700 K, pressures ranging from 200 to 1000 kPa, and combustor reference velocities ranging from 10 to 20 m/s. Variations were also made in the rich zone and lean zone equivalence ratios. Several significant trends were observed. NOx production increased with reaction temperature, lean zone equivalence ratio and residence time and decreased with increased rich zone equivalence ratio. NOx production in the model RQL combustor increased to the 0.4 power with increased pressure. This correlation, compared to those obtained for non-staged combustors (0.5 to 0.7), suggests a reduced dependence on NOx on pressure for staged combustors. Emissions profiles suggest that rich zone mixing is not uniform and that the rich zone contributes on the order of 16 percent to the total NOx produced.

Peterson, Christopher O.↗

NASA NTRS1993

A computational investigation of fuel mixing in a hypersonic scramjet

A parabolized, Navier-Stokes code, SHIP3D, is used to numerically investigate the mixing between air injection and hydrogen injection from a swept ramp injector configuration into either a mainstream low-enthalpy flow or a hypervelocity test flow. The mixing comparisons between air and hydrogen injection reveal the importance of matching injectant-to-mainstream mass flow ratios. In flows with the same injectant-to-mainstream dynamic pressure ratio, the mixing definition was altered for the air injection cases. Comparisons of the computed results indicate that the air injection cases overestimate the mixing performance associated with hydrogen injection simulation. A lifting length parameter, to account for the time a fluid particle transverses through the mixing region, is defined and used to establish a connection of injectant mixing in hypervelocity flows, based on nonreactive, low-enthalpy flows.

Fathauer, Brett W.↗

DOE OSTI2023

The Case for and Against a Gadolinium Bias in SCALE: Round 2

The “Opening Arguments” for and against a gadolinium bias in SCALE were presented at the American Nuclear Society Annual Meeting in Philadelphia, Pennsylvania, in June, 2018. Some critical experiments included in the Oak Ridge National Laboratory Verified, Archived Library of Inputs and Data (VALID) indicate a significant bias as a function of gadolinium concentration. Other experiments indicate that no significant bias exists. The work presented here develops a larger suite of gadolinium-bearing benchmark models to further examine code, data, and benchmark performance. The new benchmark models have been reviewed for accuracy, but documentation and review for addition to the VALID library have not been completed. The problematic benchmarks included in VALID are HEU-SOL-THERM-014 and -016. These are two evaluations from a series of experiments from the Institute for Physics and Power Engineering (IPPE), Russia, documented in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The entire set of evaluations also includes HEU-SOL-THERM-015, -017, -018, -019, and -025. Each evaluation contains a different uranium concentration, and different configurations within each evaluation include different gadolinium concentrations. These 7 evaluations contain a total of 52 configurations and form the largest subset of experiments considered, and they allow for a more complete assessment of the performance of these benchmarks than has historically been possible using just the HEU-SOL-THERM-014 and -016 results. Additional solution experiments are considered, including MIX-SOL-THERM-006 and -007 and PU-SOL-THERM-034. MIX-SOL-THERM-007 is in the VALID library, whereas MIX-SOL-THERM-006 and PU-SOL-THERM-034 are not. The results for MIX-SOL THERM-007 have not shown a gadolinium trend. These mixed- and plutonium-fueled solutions include 28 configurations. Some experiments including solid fuel and solid gadolinium are also included. These experiments include highly enriched uranium (HEU) foils moderated with polyethylene in HEU-MET-THERM-010, -016, and -034, and low enriched uranium (LEU) pin arrays with gadolinia absorber rods in LEU-COMP THERM-036 and -043. A total 32 cases with solid fuel are included. The IPPE solution benchmarks show a fairly high degree of variability, but no clear trend as a function of gadolinium concentration can be observed. The mixed- and plutonium-fueled solutions show less variability than the HEU solutions and also no trend relative to gadolinium concentration. The solid-fueled experiments also show no trend as a function of gadolinium content. The entire set of benchmarks shows no clear trend on gadolinium content or the energy of the average neutron lethargy causing fission.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Variable-density effects in incompressible non-buoyant shear-driven turbulent mixing layers

The asymmetries that arise when a mixing layer involves two miscible fluids of differing densities are investigated using incompressible (low-speed) direct numerical simulations. The simulations are performed in the temporal configuration with very large domain sizes, to allow the mixing layers to reach prolonged states of fully turbulent self-similar growth. Imposing a mean density variation breaks the mean symmetry relative to the classical single-fluid temporal mixing layer problem. Unlike prior variable-density mixing layer simulations in which the streams are composed of the same fluids with dissimilar thermodynamic properties, the density variations are presently due to compositional differences between the fluid streams, leading to different mixing dynamics. Variable-density (non-Boussinesq) effects introduce strong asymmetries in the flow statistics that can be explained by the strongest turbulence increasingly migrating to the lighter fluid side as free-stream density difference increases. Interface thickness growth rates also reduce, with some thickness definitions particularly sensitive to the corresponding changes in alignment between density and streamwise velocity profiles. Additional asymmetries in the sense of statistical distributions of densities at a given position within the mixing layer reveal that fine scales of turbulence are preferentially sustained in lighter fluid, which also is where fastest mixing occurs. These effects influence statistics involving density fluctuations, which have important implications for mixing and more complicated phenomena that are sensitive to the mixing dynamics, such as combustion.

42 ENGINEERING↗

NASA NTRS1976

The aerodynamic and acoustic characteristics of an over-the-wing target-type thrust reverser model

A static test of a large-scale, over-the-wing (OTW) powered-lift model was performed. The OTW propulsion system had been modified to incorporate a simple target-type thrust reverser as well as the normal rectangular OTW exhaust nozzle. Tests were performed in both the reverse thrust and approach configurations. The thrust reverser noise created by jet turbulence mixing and the OTW approach noise were both low frequency and broadband. When scaled to a 45,400-kg (100,000-lb) aircraft, the thrust reverser and approach configurations produced peak 152-m (500-ft) sideline perceived noise levels of 110 and 105 PNdB, respectively. The aerodynamic performance of the model showed that 50% or greater reverser effectiveness can be achieved without experiencing ingestion of exhaust gas or ground debris into the engine inlets.

Falarski, M. D.↗

NASA NTRS2003

Fuel Injector Design Optimization for an Annular Scramjet Geometry

A four-parameter, three-level, central composite experiment design has been used to optimize the configuration of an annular scramjet injector geometry using computational fluid dynamics. The computational fluid dynamic solutions played the role of computer experiments, and response surface methodology was used to capture the simulation results for mixing efficiency and total pressure recovery within the scramjet flowpath. An optimization procedure, based upon the response surface results of mixing efficiency, was used to compare the optimal design configuration against the target efficiency value of 92.5%. The results of three different optimization procedures are presented and all point to the need to look outside the current design space for different injector geometries that can meet or exceed the stated mixing efficiency target.

Steffen, Christopher J., Jr.↗

DOE OSTI2021

The surface triple-coupling on single crystalline cathode for lithium ion batteries

Single crystalline (SC) cathode materials, which are less susceptible to micro/nano-cracks formation and offer better structure stability compared to the polycrystalline counterpart, have attained great attention. However, the parasitic side reactions at the cathode-electrolyte interface induces the loss of active species, which consequently leads to continual degradation of the electrochemical performances. Herein, a triple coupling of concentration-gradient Na+, F- co-doping and surface NaF coating are exploited for the first time on SC LiNi 0.5C o 0.2 Mn 0.3 O 2 cathode by the hydrolysis of NaPF 6 . This process regulates the external structure of materials by constructing a “sandwich” configuration from surface to bulk: rock salt - mixing zone - layered phase. The detailed interface transformation mechanism is revealed by Neutron powder diffraction (NPD), spherical aberration corrected high-resolution scanning transmission electron microscopy (HR-STEM), electron energy loss spectroscopy (EELS), and Ar+ sputtering assisted X-ray photoelectron spectroscopy (XPS). The synergistic effects endow the SC cathode with outstanding capacity retentions: 91.3% at 25 °C and 85% at 45 °C, after 500 cycles at 5 C between 3.0 and 4.5 V. In addition, a high full-cell reversible capacity of 168.9 mAh g -1 with a capacity retention of 92.4% is achieved after 300 cycles at 1 C. Multiple characterizations further indicate that these superior results are mainly ascribed to the overall structure integrity of SC material, the thin cathode electrolyte interface, high content of lithium fluoride, and the low solubility of transition metal ions. This work opens a new avenue to construct a benign interface towards high-performance lithium ion batteries.

lithium ion batteries↗

DOE OSTI2024

Target Configuration Effect on Microstructures and Properties of Vertically Aligned Nanocomposites

Vertically aligned nanocomposites (VANs) are unique thin films with vertical nanostructures embedded in a matrix material, allowing for the integration of two distinct materials. These nanocomposites offer novel combined physical properties, such as nanocomposite-based multiferroics and strongly coupled physical properties, such as magneto-optic coupling. Much work has been conducted in exploring different two-phase combinations and various processing conditions to achieve novel tunable properties that cannot be obtained by any single-phase material alone. Here, in this work, the target configuration effects are explored for the growth of LaFeO 3 –CoNi 2 O 4 VANs. Both mixed and pie-shaped targets are utilized to compare the target configuration effects on the phase separation, morphology tuning, and their resulting physical properties, including optical and magnetic properties. This work suggests that the target configuration is another important parameter for achieving the desired VAN morphology and can be used to design different two-phase VANs with tailorable properties.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Mixing enhancement of reacting parallel fuel jets in a supersonic combustor

Pursuant to a NASA-Langley development program for a scramjet HST propulsion system entailing the optimization of the scramjet combustor's fuel-air mixing and reaction characteristics, a numerical study has been conducted of the candidate parallel fuel injectors. Attention is given to a method for flow mixing-process and combustion-efficiency enhancement in which a supersonic circular hydrogen jet coflows with a supersonic air stream. When enhanced by a planar oblique shock, the injector configuration exhibited a substantial degree of induced vorticity in the fuel stream which increased mixing and chemical reaction rates, relative to the unshocked configuration. The resulting heat release was effective in breaking down the stable hydrogen vortex pair that had inhibited more extensive fuel-air mixing.

Drummond, J. P.↗

DOE OSTI2023

Geometric frustration of Jahn–Teller order in the infinite-layer lattice

The Jahn–Teller effect, in which electronic configurations with energetically degenerate orbitals induce lattice distortions to lift this degeneracy, has a key role in many symmetry-lowering crystal deformations. Lattices of Jahn–Teller ions can induce a cooperative distortion, as exemplified by LaMnO 3 . Although many examples occur in octahedrally or tetrahedrally coordinated transition metal oxides due to their high orbital degeneracy, this effect has yet to be manifested for square-planar anion coordination, as found in infinite-layer copper, nickel, iron and manganese oxides. Here, for this work, we synthesize single-crystal CaCoO 2 thin films by topotactic reduction of the brownmillerite CaCoO 2.5 phase. We observe a markedly distorted infinite-layer structure, with ångström-scale displacements of the cations from their high-symmetry positions. This can be understood to originate from the Jahn–Teller degeneracy of the d xz and d yz orbitals in the d 7 electronic configuration along with substantial ligand–transition metal mixing. A complex pattern of distortions arises in a $2\sqrt2$ x $2\sqrt2$ x $1$ tetragonal supercell, reflecting the competition between an ordered Jahn–Teller effect on the CoO 2 sublattice and the geometric frustration of the associated displacements of the Ca sublattice, which are strongly coupled in the absence of apical oxygen. As a result of this competition, the CaCoO 2 structure forms an extended two-in–two-out type of Co distortion following ‘ice rules’.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

DEPLOYING FAST CHARGING INFRASTRUCTURE FOR ELECTRIC VEHICLES IN URBAN NETWORKS: AN ACTIVITY-BASED APPROACH

This paper explores an important problem under the domain of network modeling, the optimal configuration of charging infrastructure for electric vehicles (EVs) in urban networks considering EV users' daily activities and charging behavior. This study proposes a charging behavior simulation model considering different initial state of charge (SOC), travel distance, availability of home chargers, and the daily schedule of trips for each traveler. The proposed charging behavior simulation model examines the complete chain of trips for EV users as well as the interdependency of trips traveled by each driver. The problem of finding the optimum charging configuration is then formulated as a mixed-integer nonlinear programming problem that considers the dynamics of travel time and travel distance, the interdependency of trips made by each driver, limited range of EVs, remaining battery capacity for recharging, waiting time in queue, and detour to access a charging station. This problem is solved using a metaheuristic approach for a large-scale case network. A series of examples are presented to demonstrate the model efficacy and explore the impact of energy consumption on the final SOC and the optimum charging infrastructure.

Chain of Trips↗

DOE OSTI2021

NREL Price Series Developed for the ARPA-E FLECCS Program

The price data for four regions (CAISO, ERCOT, MISO-W, and PJM-W) are developed using the ReEDS to PLEXOS conversion as described in (Gagnon et al. 2020). The reference ReEDS case chosen is based on the 2020 Standard Scenario Mid-case, which uses the 2020 ReEDS model version (Cole et al. 2020; Ho et al. 2021). All ReEDS model inputs use 2020 Standard Scenarios Mid-case assumptions except for CO2 prices, which are implemented as linearly increasing CO2 price trajectories beginning at $0/tCO2 in 2020 and ending at either $100/tCO2 or $150/tCO2 in 2035 to dive capacity expansion towards a low-carbon system that could support CCS deployment. However, these scenarios also prohibit CCS deployment in this time frame so that resulting price data are not influenced by the deployment and operation of CCS itself. Implementing the ReEDS to PLEXOS conversion tool, PLEXOS is then simulated using the 2035 ReEDS infrastructure for both CO2 price scenarios, with the following model version and setup: PLEXOS Version: 8.2 Solver: Xpress-MP 35.01.01 Mixed integer optimization relative gap 1% System configuration: • Total number of nodes: 134 (consistent with ReEDS balancing areas) • Line losses enforced using piecewise linear approximation • Energy dump was enabled Price data is aggregated to the ISO/RTO level using load-weighted averages. References: Cole, Wesley, Sean Corcoran, Nathaniel Gates, Daniel Mai, Trieu, and Paritosh Das. 2020. “2020 Standard Scenarios Report: A U.S. Electricity Sector Outlook.” NREL/TP-6A20-77442. Golden, CO: National Renewable Energy Laboratory. https://www.nrel.gov/docs/fy21osti/77442.pdf. Gagnon, Pieter, Will Frazier, Elaine Hale, and Wesley Cole. 2020. “Cambium Documentation: Version 2020.” NREL/TP-6A20-78239. National Renewable Energy Lab. (NREL), Golden, CO (United States). https://doi.org/10.2172/1734551. Ho, Jonathan, Jonathon Becker, Maxwell Brown, Patrick Brown, Ilya (ORCID:0000000284917814) Chernyakhovskiy, Stuart Cohen, Wesley (ORCID:000000029194065X) Cole, et al. 2021. “Regional Energy Deployment System (ReEDS) Model Documentation: Version 2020.” NREL/TP-6A20-78195. Golden, CO: National Renewable Energy Laboratory. https://doi.org/10.2172/1788425.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1974

Transonic off-design drag and performance of an axisymmetric inlet with 40 percent internal contraction on design

An experimental investigation determined the drag and pressure performance of an axisymmetric supersonic inlet when operated in the transonic speed range. The inlet configuration was derived from a Mach 2.5 mixed compression inlet design with assumed variable geometry. At typical engine airflows the drag coefficient varied from 0.057 to 0.192 when the Mach number changed from 0.80 to 1.27. The presence of a wing simulator resulted in a sizable increase in total drag at Mach 1.2. This interference drag, which is roughly a 0.1 increase in drag coefficient, originates equally from an increase in both additive and cowl pressure drag.

Woollett, R. R.↗

NASA NTRS1978

Combustion of hydrogen in a two-dimensional duct with step fuel injectors

An investigation of the combustion of hydrogen perpendicularly injected from step fuel injectors into a Mach 2.72, 2100 K vitiated test gas was conducted. The model simulated the flow between the center and side struts of an integrated scramjet module at Mach 7 flight and an altitude of 29 km. Parametric variation included equivalence ratio, fuel dynamic pressure ratio, and area distribution of the model. The overall area ratio of the model was held constant at 2.87. The data analysis indicated that no measurable improvement in mixing or combustion efficiency was obtained by varying the fuel dynamic pressure ratio from 0.79 to 2.45. Computations indicated approximately 80 percent of the fuel was mixed so that it could react; however, only approximately 50 percent of the mixed fuel actually reacted in two test configurations, and 74 percent in later tests where less area expansion of the flow occurred.

Eggers, J. M.↗

NASA NTRS1979

Use of refinery computer model to predict fuel production

Several factors (crudes, refinery operation and specifications) that affect yields and properties of broad specification jet fuel were parameterized using the refinery simulation model which can simulate different types of refineries were used to make the calculations. Results obtained from the program are used to correlate yield as a function of final boiling point, hydrogen content and freezing point for jet fuels produced in two refinery configurations, each one processing a different crude mix. Refinery performances are also compared in terms of energy consumption.

Flores, F. J.↗

NASA NTRS1951

Effect of fuel volatility on performance of tail-pipe burner

Fuels having Reid vapor pressures of 6.3 and 1.0 pounds per square inch were investigated in a tail-pipe burner on an axial-flow-type turbojet engine at a simulated flight Mach number of 0.6 and altitudes from 20,000 to 45,000 feet. With the burner configuration used in this investigation, having a mixing length of only 8 inches between the fuel manifold and the flame holder, the low-vapor-pressure fuel gave lower combustion efficiency at a given tail-pipe fuel-air ratio. Because the exhaust-nozzle area was fixed, the lower efficiency resulted in lower thrust and higher specific fuel consumption. The maximum altitude at which the burner would operate was practically unaffected by the change in fuel volatility.

FUELS - TURBINE ENGINES, RAM JETS, AND PULSE JETS↗