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At least 361 records · Page 20

Analysis of non-premixed turbulent reacting flows

Studies of chemical reactions occurring in turbulent flows are important in the understanding of combustion and other applications. Current numerical methods are limited in their applications due to the numerical resolution required to completely capture all length scales, but, despite the fact that realistic combustion cannot be solved completely, numerical simulations can be used to give insight into the interaction between the processes of turbulence and chemical reaction. The objective was to investigate the effects of turbulent motion on the effects of chemical reaction to gain some insight on the interaction of turbulence, molecular diffusion, and chemical reaction to support modeling efforts. A direct turbulence simulation spectral code was modified to include the effects of chemical reaction and applied to an initial value problem of chemical reaction between non-premixed species. The influence of hydrodynamics on the instantaneous structure of the reaction was investigated. The local scalar dissipation rates and the local reaction rates were examined to determine the influence of vorticity or rate of strain on the reaction and the structure of the scalar field.

Leonard, Andy D.↗

The Supercritical Pile GRB Model: The Prompt to Afterglow Evolution

The 'Supercritical Pile' is a very economical gamma ray burst (GRB) model that provides for the efficient conversion of the energy stored in the protons of a Relativistic Blast Wave (RBW) into radiation and at the same time produces - in the prompt GRB phase, even in the absence of any particle acceleration - a spectral peak at an energy sim 1 MeV. We extend this model to include also the evolution of the RBW Lorentz factor Gamma and thus follow the spectral and temporal features of this model into the early GRB afterglow stage. One of the novel features of the present treatment is the inclusion of the feedback of the GRB produced radiation on the evolution of Gamma with radius. This feedback and the presence of kinematic and dynamic thresholds in the model can be the sources of rich time evolution which we have begun to explore. In particular, one can this way obtain afterglow light curves with steep decays followed by the more conventional flatter afterglow slopes, while at the same time preserving the desirable features of the model, i.e. the well defined relativistic electron source and radiative processes that produce the proper peak in the nu F spectra. Furthermore, the existence of a kinematic threshold in this model provides for a operational distinction of the prompt and afterglow GRB stages; in fact, the afterglow stage sets in when the RBW Lorentz factor cannot anymore fulfill the kinematic condition for pair formation in the photon - proton pair production reactions that constitute the fundamental process for the dissipation of the blast wave kinetic energy. We present the results of a specific set of parameters of this model with emphasis on the multiwavelength prompt emission and transition to the early afterglow.

Kazanas, Demosthenes↗

Heating-Rate-Coupled Model for Hydrogen Reduction of JSC-1A

A previously developed and validated model for hydrogen reduction of JSC-1A for a constant reaction-bed temperature is extended to account for reaction during the bed heat-up period. A quasisteady approximation is used wherein an expression is derived for a single average temperature of reaction during the heat-up process by employing an Arrhenius expression for regolith conversion. Subsequently, the regolith conversion during the heat-up period is obtained by using this representative temperature. Accounting for the reaction during heat-up provides a better estimate of the reaction time needed at the desired regolith-bed operating temperature. Implications for the efficiency of the process, as measured by the energy required per unit mass of oxygen produced, are also indicated.

Hegde, U.↗

Ispra Mark-10 water splitting process

A thermochemical water splitting process, the Ispra Mark-10 chemical reaction cycle, was chosen for examining the possibility of using water to produce hydrogen on a large scale for fuel and major industrial chemical uses. The assumed energy source for the process is an HTGR (helium cooled). A process flow diagram, a material balance, and an energy balance were developed for the thermochemical reaction cycle. Principal reactions which constitute the cycle are included.

Source record↗

Twinning, Epitaxy and Domain Switching in Ferroelastic Inclusion Compounds

Our research is in the area of solid-state organic chemistry, which lies at the interface between physical organic chemistry and materials science. We use crystalline solids as models to probe fundamental issues about physical processes, molecular interactions and chemical reactions that are important for fabrication, stabilization and application of technological materials. Much of our most recent work has focused on the phenomena of ferroelastic and ferroelectric domain switching, in which application of an external force or electric field to a crystal causes the molecules inside the crystal to reorient, in tandem, to a new orientational state. To better understand and control the domain switching process, we have designed and synthesized over twenty closely related, ferroelastic organic crystals. Our approach has been to use crystalline inclusion compounds, in which one molecule (the guest) is trapped within the crystalline framework of a second molecule (the host). By keeping the host constant and varying the proportions and kinds of guests, it has been possible to tailor these materials so that domain switching is rapid and reversible (which is desirable for high technology applications). Inclusion compounds therefore serve as powerful systems for understanding the specific molecular mechanisms that control domain switching.

Hollingsworth, Mark D.↗

Fabrication of Iron-Containing Carbon Materials From Graphite Fluoride

Carbon materials containing iron alloy, iron metal, iron oxide or iron halide were fabricated. Typical samples of these metals were estimated to contain 1 iron atom per 3.5 to 5 carbon atoms. Those carbon materials containing iron alloy, iron metal, and/or Fe3O4 were magnetic. The kinetics of the fabrication process were studied by exposing graphite fluoride (CF(0.68)) to FeCl3 over a 280 to 420 C temperature range. Between 280 and 295 C, FeCl3 quickly entered the structure of CF(0.68), broke the carbon-fluorine bonds, and within 10 to 30 min, completely converted it to carbon made up of graphite planes between which particles of crystalline FeF3 and noncrystalline FeCl3 were located. Longer reaction times (e.g., 28 hr) or higher reaction temperatures (e.g., 420 C) produced materials containing graphite, a FeCl3-graphite intercalation compound, FeCl2(center dot)4H2O, and FeCl2(center dot)2H2O. These products were further heat treated to produce iron-containing carbon materials. When the heating temperature was kept in the 750 to 850 C range, and the oxygen supply was kept at the optimum level, the iron halides in the carbon structure were converted to iron oxides. Raising the heat to temperatures higher than 900 C reduced such iron oxides to iron metal. The kinetics of these reactions were used to suggest processes for fabricating carbon materials containing iron alloy. Such processes were then tested experimentally. In one of the successful trial runs, commercially purchased CF(0.7) powder was used as the reactant, and NiO was added during the final heating to 1200 C as a source of both nickel and oxygen. The product thus obtained was magnetic and was confirmed to be a nickel-iron alloy in carbon.

Hung, Ching-cheh↗

The Origins and Evolution of Molecules in Icy Solids

Astronomical observations of the past few decades have revealed the existence of a variety of molecules in extraterrestrial ices. These molecules include H2O, CO, and CO2, and organics such as CH4, CH30H, and C2H6. Some ices are dominated by polar molecules, while non-polar species appear to dominate others. Observations, mainly in the radio and IR regions, have allowed the inference of other solid-phase molecules whose formation remains difficult to explain by gas-phase chemistry alone. Several laboratory research groups have reported on extensive experiments on the solid-phase reaction chemistry of icy materials, generally as initiated by either ionizing radiation or vacuum-UV photons. These experiments not only permit molecular identifications to be made from astronomical observations, but also allow predictions of yet unidentified molecules. This laboratory approach has evolved over more than 30 years with much of the earliest work focusing on complex mixtures thought to represent either cometary or interstellar ices. Although those early experiments documented a rich solid-state photo- and radiation chemistry, they revealed few details of reactions for particular molecules, partly due to the multi-component nature of the samples. Since then, model systems have been examined that allow the chemistry of individual species and specific reactions to be probed. Reactions involving most of the smaller astronomical molecules have now been studied and specific processes identified. Current laboratory work suggests that a variety of reactions occur in extraterrestrial ices, including acid-base processes, radical dimerizations, proton transfers, oxidations, reductions, and isomerizations. This workshop presentation will focus on chemical reactions relevant to solar system and interstellar ices. While most of the work will be drawn from that to which the speaker has contributed, results from other laboratories also will be included. Suggestions for future studies will be made, with an emphasis on some present deficiencies. The speaker's work has been generously supported by these NASA research programs: Cassini Data Analysis, Exobiology, Mars Fundamental Research, Outer Planets Research, Planetary Atmospheres, Planetary Geology and Geophysics, and the NASA Astrobiology Institute.

Hudson, Reggie L.↗

Evidence for global processing of complex visual displays

'Polar graphic' displays, in which changes in system status are represented by distortions in the form of a geometric figure, were presented to subjects, and reaction time (RT) to discriminate system status was recorded. Of interest was the extent to which reaction time showed evidence of global processing of these displays as the number of nodes and difficulty of discrimination were varied. When discrimination of system status was easy, RT showed no increase with increasing number of nodes, providing evidence of global processing. When discrimination was difficult, systematic differences in RT as a function of the number of nodes suggested the invocation of other (local) processes, although the data were not consistent with a node-by-node search process.

Munson, Robert C.↗

The Gaseous Explosive Reaction : the Effect of Pressure on the Rate of Propagation of the Reaction Zone and upon the Rate of Molecular Transformation

This study of gaseous explosive reaction has brought out a number of important fundamental characteristics of the explosive reaction indicating that the basal processes of the transformation are much simpler and corresponds more closely to the general laws and principles of ordinary transformations than is usually supposed. The report calls attention to the point that the rate of molecular transformation within the zone was found in all cases to be proportional to pressure, that the transformation within the zone is the result of binary impacts. This result is of unusual interest in the case of the reaction of heavy hydrocarbon fuels and the reaction mechanism proposed by the recent kinetic theory of chain reactions.

Stevens, F W↗

Chemical vapor deposition fluid flow simulation modelling tool

Accurate numerical simulation of chemical vapor deposition (CVD) processes requires a general purpose computational fluid dynamics package combined with specialized capabilities for high temperature chemistry. In this report, we describe the implementation of these specialized capabilities in the spectral element code NEKTON. The thermal expansion of the gases involved is shown to be accurately approximated by the low Mach number perturbation expansion of the incompressible Navier-Stokes equations. The radiative heat transfer between multiple interacting radiating surfaces is shown to be tractable using the method of Gebhart. The disparate rates of reaction and diffusion in CVD processes are calculated via a point-implicit time integration scheme. We demonstrate the use above capabilities on prototypical CVD applications.

Bullister, Edward T.↗

Development of dispersion-strengthened XD (trademark) Cu alloys for high heat-flux applications

In a previous effort sponsored by NASA LeRC, the XD(trademark) process was used to produce ZrB2 particulate reinforcements in Cu and the resulting extruded material was microstructurally characterized and evaluated in tension over a range of temperatures. A problem that was encountered in that study was microstructural inhomogeneity resulting from the frequent presence of 'ZrB2 agglomerates' that were several microns in size. The presence of these agglomerates was attributed to improper mixing of powders in the green compact used in the XD process for elemental boron powder segregation. In this program, several milling parameters were examined in an effort to optimize this processing step; two levels of ZrB2 reinforcements were considered (7 vol. percent and 15 vol. percent). Microstructures of the reacted powder mass were examined to verify the absence of these agglomerates. Larger bathes of powder were then mixed, reacted, machined to size, canned, and extruded. The microstructure and tensile properties of these extrusions were examined, and the measured properties were correlated with the observed microstructure. Large unreacted or partially reacted Zr particles were present. These particles affected the mechanical properties deleteriously, and their presence is attributed to insufficient heat of reaction during XD synthesis. Alternate processing routes are recommended.

Kumar, K. Sharvan↗

Electrocatalytic Reduction of Carbon Dioxide to Methane

A room-temperature electrocatalytic process that effects the overall chemical reaction CO2 + 2H2O yields CH4 + 2O2 has been investigated as a means of removing carbon dioxide from air and restoring oxygen to the air. The process was originally intended for use in a spacecraft life-support system, in which the methane would be vented to outer space. The process may also have potential utility in terrestrial applications in which either or both of the methane and oxygen produced might be utilized or vented to the atmosphere. A typical cell used to implement the process includes a polymer solid-electrolyte membrane, onto which are deposited cathode and anode films. The cathode film is catalytic for electrolytic reduction of CO2 at low overpotential. The anode film is typically made of platinum. When CO2 is circulated past the cathode, water is circulated past the anode, and a suitable potential is applied, the anode half-cell reaction is 4H2O yields 2O2 + 8H(+) + 8e(-). The H(+) ions travel through the membrane to the cathode, where they participate in the half-cell reaction CO2 + 8H(+) + 8e(-) yields CH4 + 2H2O.

Sammells, Anthony F.↗

Influence of Solar-Geomagnetic Disturbances on SABER Measurements of 4.3 Micrometer Emission and the Retrieval of Kinetic Temperature and Carbon Dioxide

Thermospheric infrared radiance at 4.3 micrometers is susceptible to the influence of solar-geomagnetic disturbances. Ionization processes followed by ion-neutral chemical reactions lead to vibrationally excited NO(+) (i.e., NO(+)(v)) and subsequent 4.3 micrometer emission in the ionospheric E-region. Large enhancements of nighttime 4.3 m emission were observed by the TIMED/SABER instrument during the April 2002 and October-November 2003 solar storms. Global measurements of infrared 4.3 micrometer emission provide an excellent proxy to observe the nighttime E-region response to auroral dosing and to conduct a detailed study of E-region ion-neutral chemistry and energy transfer mechanisms. Furthermore, we find that photoionization processes followed by ion-neutral reactions during quiescent, daytime conditions increase the NO(+) concentration enough to introduce biases in the TIMED/SABER operational processing of kinetic temperature and CO2 data, with the largest effect at summer solstice. In this paper, we discuss solar storm enhancements of 4.3 micrometer emission observed from SABER and assess the impact of NO(+)(v) 4.3 micrometer emission on quiescent, daytime retrievals of Tk/CO2 from the SABER instrument.

Mertens, Christopher J.↗

Organic chemistry on Titan

Observations of nonequilibrium phenomena on the Saturn satellite Titan indicate the occurrence of organic chemical evolution. Greenhouse and thermal inversion models of Titan's atmosphere provide environmental constraints within which various pathways for organic chemical synthesis are assessed. Experimental results and theoretical modeling studies suggest that the organic chemistry of the satellite may be dominated by two atmospheric processes: energetic-particle bombardment and photochemistry. Reactions initiated in various levels of the atmosphere by cosmic ray, Saturn wind, and solar wind particle bombardment of a CH4 - N2 atmospheric mixture can account for the C2-hydrocarbons, the UV-visible-absorbing stratospheric haze, and the reddish color of the satellite. Photochemical reactions of CH4 can also account for the presence of C2-hydrocarbons. In the lower Titan atmosphere, photochemical processes will be important if surface temperatures are sufficiently high for gaseous NH3 to exist. Hot H-atom reactions initiated by photo-dissociation of NH3 can couple the chemical reactions of NH3 and CH4 and produce organic matter.

Chang, S.↗

Competitive Oxidation and Hydration During Aqueous Alteration of Asteroids

Introduction: Studies of chondrites show that incorporation of H2O ice during formation of asteroids followed by radioactive heating caused partial oxidation and hydration of primary reduced and anhydrous rocks. Oxidation of kamacite, phosphides, troilite and organic polymers occurred through consumption of water s oxygen and release of H2. Hydration caused formation of serpentine, saponite, chlorite, talc and hydrated salts. Since H2O was the major reactant in oxidation and hydration, these processes could have been competitive. Redox reactions in asteroids should have been closely connected to hydration (dehydration) during aqueous alteration and thermal metamorphism. For example, dehydration and reduction release H2O that can be consumed in oxidation and hydration, respectively. We model asteroidal processes in order to quantify the fate of H2O and water s oxygen in major redox and hydration/dehydration reactions. Model: Equilibrium compositions in the gas-solid-liquid

Zolotov, M. Y.↗

Influence of Oxygenated Compounds on Reaction Products in a Microwave Plasma Methane Pyrolysis Assembly for Post-Processing of Sabatier Methane

The state-of-the-art Carbon Dioxide Reduction Assembly (CRA) was delivered to the International Space Station (ISS) in April 2010. The system is designed to accept carbon dioxide from the Carbon Dioxide Removal Assembly and hydrogen from the Oxygen Generation Assembly. The two gases are reacted in the CRA in a Sabatier reactor to produce water and methane. Venting of methane results in an oxygen resupply requirement of about 378 lbs per crew member per year. If the oxygen is supplied as water, the total weight for resupply is about 476 lb per crew member per year. For long-term missions beyond low Earth orbit, during which resupply capabilities will be further limited, recovery of hydrogen from methane is highly desirable. For this purpose, NASA is pursuing development of a Plasma Pyrolysis Assembly (PPA) capable of recovering hydrogen from methane. Under certain conditions, water vapor and carbon dioxide (nominally intended to be separated from the CRA outlet stream) may be present in the PPA feed stream. Thus, testing was conducted in 2010 to determine the effect of these "oxygenated" compounds on PPA performance, particularly the effect of inlet carbon dioxide and water variations on the PPA product stream. This paper discusses the test set-up, analysis, and results of this testing

Mansell, J. Matthew↗

Influence of Oxygenated Compounds on Reaction Products in a Microwave Plasma Methane Pyrolysis Assembly for Post-Processing of Sabatier Methane

The state-of-the-art Carbon Dioxide Reduction Assembly (CRA) was delivered to the International Space Station (ISS) in April 2010. The system is designed to accept carbon dioxide from the Carbon Dioxide Removal Assembly and hydrogen from the Oxygen Generation Assembly. The two gases are reacted in the CRA in a Sabatier reactor to produce water and methane. Venting of methane results in an oxygen resupply requirement of about 378 lbs per crew member per year. If the oxygen is supplied as water, the total weight for resupply is about 476 lb per crew member per year. For long-term missions beyond low Earth orbit, during which resupply capabilities will be further limited, recovery of hydrogen from methane is highly desirable. For this purpose, NASA is pursuing development of a Plasma Pyrolysis Assembly (PPA) capable of recovering hydrogen from methane. Under certain conditions, water vapor and carbon dioxide (nominally intended to be separated from the CRA outlet stream) may be present in the PPA feed stream. Thus, testing was conducted in 2010 to determine the effect of these oxygenated compounds on PPA performance, particularly the effect of inlet carbon dioxide and water variations on the PPA product stream. This paper discusses the test set-up, analysis, and results of this testing.

Mansell, J. Matthew↗

Supercritical Water Oxidation: Testing of Ersatz Wastewater

Supercritical Water Oxidation (SCWO) technology is under consideration by NASA for treatment of wastewater and other wet waste streams. The dramatic changes in water's thermophysical properties near its critical point (374◦C and 22 MPa) result in nearly complete solubility of organics and gases. The absence of inter–phase transport processes and phase separation results in dramatically reduced reaction timescales and the elimination of complications of two–phase transport and processing in reduced gravity. Other advantages are that the product streams are microbially inert,benign, amenable to resource recovery and organic waste. This paper first described the design and construction of tubular SCWO reactor built at NASA Glenn. It consists of separate wastewater and oxidizer inlets, which are independently heated and pressurized to conditions approaching the critical point of water. These flows enter a reactor chamber having a volume of 62 ml. The reactor section is heated to the desired temperature in the range of 450 ◦C – 650 ◦C. A pressure regulator maintains the operating pressure nominally between 27.6 MPa and 28.3 MPa. The reacted fluid is captured downstream of the pressure regulator during an experiment run. A separate vent line may also be used for collection of the effluent. Next, the results of SCWO experiments using both a representative organic (ethanol) as well as a wastewater simulant provided by NASA Ames are presented. Raman analysis of the pre–reacted and post–reacted solutions are presented. Finally, initial efforts on supplementary chemical kinetics modeling of ethanol oxidation with and without inclusion of a nitrogenous compounds (ammonia) are presented.

Michael C Hicks↗