Spatially resolved gas-phase metallicity in FIRE-2 dwarfs: late-time evolution of metallicity relations in simulations with feedback and mergers
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Lori E Porter↗
SEARCH · Engineering Papers
Results for “Gas phase”
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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Always Lost but Never Forgotten: Gas-Phase Wall Losses Are Important in All Teflon Environmental Chambers
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54 ENVIRONMENTAL SCIENCES↗
Gas phase ozone-mediated selective oxidative dehydrogenation of alkanes
Improved methods of oxidative dehydrogenation (ODH) of alkanes and alkylbenzenes to the corresponding olefins are disclosed. The disclosed methods use ozone (O 3 ) to mediate the oxidative dehydrogenation reaction with high selectivity for the desired product, and no heterogeneous ODH catalyst is needed.
Hermans, Ive↗
Chemical Differences between Phenolic Secondary Organic Aerosol Formed through Gas-Phase and Aqueous-Phase Reactions
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54 ENVIRONMENTAL SCIENCES↗
Transient Numerical Modeling of Catalytic Channels
This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the first case. Finally, the results show that different initial surface-species distribution leads to different steady-states under certain conditions. These results demonstrate the utility of a lumped two-phase model of a transient catalytic combustor with detailed chemistry.
Struk, Peter M.↗
Steam-Assisted Ammonolysis of MoO2 as a Synthetic Pathway to Oxygenated δ-MoN
A common route for the synthesis of molybdenum nitrides is through the temperature-programmed reaction of molybdenum oxides with NH3, or ammonolysis. In this work, the role of precursor phase, gas phase chemistry (impact of H2O), and temperature profile on the reaction outcome (700 °C) was examined, which resulted in varying amounts of MoO2, H2MoO5, and the nitride phases—cubic γ (nominally Mo2N) and hexagonal δ (nominally MoN). The phase fraction of the δ phase increased with precursor in the sequence MoO2 > MoO3 > H2MoO5. Steam in the reaction gas also favored the production of δ over γ, but with too much steam, MoO2 was obtained in the product. Synthesis conditions for obtaining nearly phase-pure δ were identified: MoO2 as the precursor, 2% H2O in the gas stream, and a moderate heating rate (3 °C/min). In situ X-ray diffraction provided insights into the reaction pathway. Extensive physico-chemical analysis of the δ phase, including synchrotron X-ray and neutron diffraction, electron microscopy, thermogravimetric analysis, X-ray photoelectron spectroscopy, and prompt gamma activation analysis, revealed its stoichiometry to be MoO0.108(8)N0.892(8)H0.012(5), indicating non-trivial oxygen incorporation. The presence of N/O ordering and an impurity phase Mo5N6 were also revealed, detectable only by neutron diffraction. Notably, a computationally predicted MoON phase (doi: 10.1103/PhysRevLett.123.236402), of interest due to its potential to display a metal-insulator transition, did not appear under any reaction condition examined.
Pandey, Shobhit↗
The Design of Relativistic Ultrafast Electron Diffraction and Imaging (RUEDI) Facility for Materials in Extremes
Materials in extreme conditions in terms of temperature and pressure are of great interest where novel phenomena are expected for new science and materials design. A wide range of materials are of interest, including warm dense matter, particulate materials, liquid materials, fusion materials and geophysical materials. Their environments also range from liquid phase, gas phase and cryogenic temperatures. Here, the conditions often correspond to the level of the interiors of planets or stars. Such conditions are, however, typically not available in the laboratory. In addition, novel phenomena exist as transition structures that occur at an extremely short time scale in the harsh environments, which are often difficult to be modelled.
36 MATERIALS SCIENCE↗
Design and development of liquid hydrogen mixer unit
A dc brushless motor driven mixer unit (a vaneaxial fan) was designed and evaluated for use in cryogenic fluids (liquids and gases). It was found to operate well in all fluids in which it was tested. The test fluids were liquid and gaseous helium, hydrogen in the liquid phase gas phase and mixtures of the two phases, and liquid nitrogen. It operated for over 100 hr at cryogenic temperatures without damage to the bearings and at the conclusion of testing the condition of the bearings was such that an operational life of 5000 hr appeared possible. The unit demonstrated that (with the brushless dc motor principle) useful pumping of cryogenic fluids could be accomplished with very small power inputs to the mixer motor. During test, the motor input power varied from approximately 0.5 W to 2.5 W, depending on fluid density. The high power input produced a mixer efficiency of over 49 percent. In an earlier program (see NASA Report CR-72365), a mixer using an ac induction motor demonstrated an efficiency of 17.7 percent under the same conditions, illustrating the advantage of the dc brushless motor driven unit. The mixer also demonstrated its ability to automatically vary speed as a function of the density of the fluid being pumped. This causes the unit to deliver higher volumetric flow rates as fluid density decreases.
Morgan, R. W.↗
Development of Efficient Real-Fluid Model in Simulating Liquid Rocket Injector Flows
The characteristics of propellant mixing near the injector have a profound effect on the liquid rocket engine performance. However, the flow features near the injector of liquid rocket engines are extremely complicated, for example supercritical-pressure spray, turbulent mixing, and chemical reactions are present. Previously, a homogeneous spray approach with a real-fluid property model was developed to account for the compressibility and evaporation effects such that thermodynamics properties of a mixture at a wide range of pressures and temperatures can be properly calculated, including liquid-phase, gas- phase, two-phase, and dense fluid regions. The developed homogeneous spray model demonstrated a good success in simulating uni- element shear coaxial injector spray combustion flows. However, the real-fluid model suffered a computational deficiency when applied to a pressure-based computational fluid dynamics (CFD) code. The deficiency is caused by the pressure and enthalpy being the independent variables in the solution procedure of a pressure-based code, whereas the real-fluid model utilizes density and temperature as independent variables. The objective of the present research work is to improve the computational efficiency of the real-fluid property model in computing thermal properties. The proposed approach is called an efficient real-fluid model, and the improvement of computational efficiency is achieved by using a combination of a liquid species and a gaseous species to represent a real-fluid species.
Cheng, Gary↗
Analytic modeling of a spray diffusion flame
A detailed model for a spray diffusion flame is described. The model is based on the boundary layer form of the equations of motion, with droplet transport accounted for using a discretized droplet size distribution function. Interphase transport of mass and energy are accounted for, with a flame-sheet model used to describe the combustion process on a droplet scale. Near dynamic equilibrium is assumed for the description of droplet transport; droplets can diffuse relative to the gas phase. Gas-phase mixing is accounted for using a two-equation turbulence model; buoyancy effects are included, with a temperature fluctuation equation used to account for buoyancy effects on turbulence structure. Thermal radiation from gas-phase CO2 and H2O is included. Gas-phase chemical kinetics are modeled using a 20-reaction, 10-species version of the advanced quasi-global chemical kinetics formulation. Results are compared with data for a vaporizing Freon spray and a pentane spray flame. It is shown that the computational approach provides a reasonably valid picture of the overall development of a spray diffusion flame, and, furthermore, provides a useful tool for the parametric examination of the spray combustion process.
Harsha, P. T.↗
The WINCOF-I code: Detailed description
The performance of an axial-flow fan-compressor unit is basically unsteady when there is ingestion of water along with the gas phase. The gas phase is a mixture of air and water vapor in the case of a bypass fan engine that provides thrust power to an aircraft. The liquid water may be in the form of droplets and film at entry to the fan. The unsteadiness is then associated with the relative motion between the gas phase and water, at entry and within the machine, while the water undergoes impact on material surfaces, centrifuging, heat and mass transfer processes, and reingestion in blade wakes, following peal off from blade surfaces. The unsteadiness may be caused by changes in atmospheric conditions and at entry into and exit from rain storms while the aircraft is in flight. In a multi-stage machine, with an uneven distribution of blade tip clearance, the combined effect of various processes in the presence of steady or time-dependent ingestion is such as to make the performance of a fan and a compressor unit time-dependent from the start of ingestion up to a short time following termination of ingestion. The original WINCOF code was developed without accounting for the relative motion between gas and liquid phases in the ingested fluid. A modification of the WINCOF code was developed and named WINCOF-1. The WINCOF-1 code can provide the transient performance of a fan-compressor unit under a variety of input conditions.
Murthy, S. N. B.↗
Transient Catalytic Combustor Model With Detailed Gas and Surface Chemistry
In this work, we numerically investigate the transient combustion of a premixed gas mixture in a narrow, perfectly-insulated, catalytic channel which can represent an interior channel of a catalytic monolith. The model assumes a quasi-steady gas-phase and a transient, thermally thin solid phase. The gas phase is one-dimensional, but it does account for heat and mass transfer in a direction perpendicular to the flow via appropriate heat and mass transfer coefficients. The model neglects axial conduction in both the gas and in the solid. The model includes both detailed gas-phase reactions and catalytic surface reactions. The reactants modeled so far include lean mixtures of dry CO and CO/H2 mixtures, with pure oxygen as the oxidizer. The results include transient computations of light-off and system response to inlet condition variations. In some cases, the model predicts two different steady-state solutions depending on whether the channel is initially hot or cold. Additionally, the model suggests that the catalytic ignition of CO/O2 mixtures is extremely sensitive to small variations of inlet equivalence ratios and parts per million levels of H2.
Struk, Peter M.↗
Impact of particle loading and phase coupling on gas–solid flow dynamics: A case study of a two-phase, gas–solid flow in an annular pipe
The present study is devoted to a two-phase, gas–solid flow in an annular pipe (hollow cylinder) at an elevated pressure of 15 bars and moderate Reynolds number of circa 6000. The influence of the particle loading, the interaction between the phases, and turbulence dispersion on the flow dynamics is systematically studied by means of computational fluid dynamics simulations, employing the Ansys FLUENT commercial package. The cases with a particle volumetric fraction of 1.2% are referred to as “high particle loading,” and those with 0.13% are denoted as “low particle loading.” The following cases are investigated: (1) pure gas flow; (2) low particle loading two-phase flow with one-way coupling and with turbulence dispersion; (3) low particle loading two-phase flow with two-way coupling but without turbulence dispersion; (4) low particle loading two-phase flow with two-way coupling and with turbulence dispersion; (5) high particle loading two-phase flow with one-way coupling and with turbulence dispersion; (6) high particle loading two-phase flow with two-way coupling but without turbulence dispersion; and (7) high particle loading two-phase flow with two-way coupling and with turbulence dispersion. Additionally, the boundary layer is found to grow without fluctuations of the turbulent kinetic energy (TKE) for cases 1, 2, and 5. For case 4, the TKE fluctuations have been identified, although they appear to be less substantial than those in cases 6 and 7. The authors attribute the semi-chaotic nature of the TKE fluctuations to the particle loading and two-way coupling. In addition, the onset and development of the flow instability have been observed at a random axial distance in cases 4, 6, and 7. Such instability is also attributed to the two-way coupling with turbulence dispersion in the flow. It is concluded that the particle loading, one-way, or two-way coupling between the phases, and the turbulence dispersion models significantly influence the development of the flow dynamics with the same inlet and boundary conditions. Consequently, it is not a trivial question, which result a user should trust. The present computational results inspire to perform verification as well as experimental validation of the simulations, so the simulation results can subsequently be used with confidence for design analysis.
42 ENGINEERING↗
Modelling the complex evaporated gas flow and its impact on particle spattering during laser powder bed fusion
The additive manufacturing (AM) of metals is becoming an increasingly important production process with the potential to replace traditional techniques such as casting. Laser Powder Bed Fusion (LPBF) is used in many applications to print metal parts from powder. The metal powder is heated locally with sufficient laser radiation that the liquid melt easily reaches its boiling temperature, which leads to a metallic vapour jet that can entrain both powder bed particles and molten droplets. The small size of laser-matter interaction site makes a detailed experimental analysis of the process challenging. Synchrotron X-ray imaging experiments are one of the few methods which can capture the dynamic melting and solidification processes. Comparing such experiments with computer simulations of the process is an important approach in order to better understand the manufacturing process and to analyse the influence of process parameters on the evaporated gas jet and the subsequent impact on particle ejection, leading to potentially reduced AM component quality. The melting and solidification of the metal powder is simulated using an Eulerian multiphase approach based on a control volume discretization of powder bed and substrate and a volume of liquid separation from melt and gas phase. The gas phase modelled as an ideal gas reaches velocities up to 100 m/s. Lagrangian particle tracking in the simulation demonstrates that the velocity fields calculated by the Eulerian multi-phase approach in combination with a standard drag-force model lead to particle accelerations in good agreement with those measured experimentally. In order to avoid numerical laborious Lagrangian calculations, a direct method to compare an Eulerian multiphase simulation with synchrotron X-ray experiments was introduced and validated. This approach is used to analyse the influence of process parameters including laser power and laser speed on the maximal acceleration of particles from the melt pool area. While the particle acceleration increases linearly with line energy in the conduction mode, a linear decrease of the acceleration with increasing line energy can be found in the transition mode before the accel-eration increases again with line energy in the keyhole mode.
36 MATERIALS SCIENCE↗
Liquid Fuels: Pyrolytic Degradation and Fire Spread Behavior as Influenced by Buoyancy
This project was conducted by the Combustion and Emission Control Lab in the Engineering Department at Clark Atlanta University under NASA Grant No. NCC3-707. The work aimed at providing data to supplement the ongoing NASA research activities on flame spread across liquid pools by providing flow visualization and velocity measurements especially in the gas phase and gas-liquid interface. During this investigation, the detailed physics of flame spread across liquid pools was revealed using particle image velocimetry (PIV), 3-dimensional Laser Doppler velocimetry (LDV) and high-speed video imaging system (HSVS). Flow fields (front and side views) of both the liquid and gas phases were visually investigated for the three subflash regimes of flame spread behavior. Some interesting findings obtained from the front and side views on flame spread across butanol pools are presented. PIV results showed the size of the transient vortex in the liquid phase near the flame front varied with the initial pool temperature. The transient vortex ahead of the flame front in the gas phase was, for the first time, clearly observed located just within 0-3 mm above the liquid surface and its size was dependent on the initial pool temperature. We calculated the flow velocity at 1 mm below the liquid surface near the flame front and inferred the generation mechanism of the vortex in the gas phase. Finally, after comparison of the flow velocity of the liquid surface and the flame spread rate, a reasonable explanation to the formation mechanism of the pulsating characteristic was proposed. This explanation is compatible with the previous numerical calculations and deductions.
Ross, Howard D.↗
Capillary gas chromatography with two new moderately high temperature phases.
Gas chromatography test results are presented for two new moderately high-temperature phases of Dexsil 400-GC with free hydroxyl end groups (uncapped) and with end groups covered by trimethyl silyl groups (capped). The two Dexsil 400-GC phases were tested for their ability to resolve N-TFA-DL-(+)-2-butyl esters and n-butyl esters, as well as fatty acid methyl esters and hydrocarbon standards. Generally the more polar uncapped phase was superior to the capped phase in all separation comparisons, except for the hydrocarbons.
Pollock, G. E.↗
A Monte Carlo Sensitivity Analysis of CF2 and CF Radical Densities in a c-C4F8 Plasma
A Monte Carlo sensitivity analysis is used to build a plasma chemistry model for octacyclofluorobutane (c-C4F8) which is commonly used in dielectric etch. Experimental data are used both quantitatively and quantitatively to analyze the gas phase and gas surface reactions for neutral radical chemistry. The sensitivity data of the resulting model identifies a few critical gas phase and surface aided reactions that account for most of the uncertainty in the CF2 and CF radical densities. Electron impact dissociation of small radicals (CF2 and CF) and their surface recombination reactions are found to be the rate-limiting steps in the neutral radical chemistry. The relative rates for these electron impact dissociation and surface recombination reactions are also suggested. The resulting mechanism is able to explain the measurements of CF2 and CF densities available in the literature and also their hollow spatial density profiles.
Bose, Deepak↗
Chemistry and Evolution of Interstellar Clouds
In this chapter we describe how elements have been and are still being formed in the galaxy and how they are transformed into the reservoir of materials present at the time of formation of our protosolar nebula. We discuss the global cycle of matter, beginning at its formation site in stars, where it is ejected through winds and explosions into the diffuse interstellar medium. In the next stage of the global cycle occurs in cold, dense molecular clouds, where the complexity of molecules and ices increases relative to the diffuse ISM.. When a protostar forms in a dense core within a molecular cloud, it heats the surrounding infalling matter warms and releases molecules from the solid phase into the gas phase in a warm, dense core, sponsoring a rich gas-phase chemistry. Some material from the cold and warm regions within molecular clouds probably survives as interstellar matter in the protostellar disk. For the diffuse ISM, for cold, dense clouds, and for dense-warm cores, the physio-chemical processes that occur within the gas and solid phases are discussed in detail.
Wooden, D. H.↗