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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

The G value in plasma and radiation chemistry

The application of the G-value concept to plasma chemistry is considered. A general formula which expresses the G value for a general reaction in terms of experimentally controllable parameters is derived by applying simple gas-dynamic theory to a plasma reactor with straight walls. The formula expresses the G value as a function of the electrical power absorbed, the fraction of molecules transformed, and the flow rate of the gas entering the reactor. The formula was applied to the ammonia plasma radio-frequency discharge data of d'Agostino et al. (1981); the results showed that the G(-NH3) value lies in the range of 6.0-20 molecules/100 eV, depending on the conditions. This similarity of the G(-NH3) value with Peterson's (1974) range 2.7-10 found for the gas-phase radiolysis of ammonia, suggests that there might be a common reaction mechanism initiated by inelastic electron-molecule collisions.

Baird, James K.↗
NASA NTRS1991

Simulation of mixing in the quick quench region of a rich burn-quick quench mix-lean burn combustor

A computer program was developed to study the mixing process in the quick quench region of a rich burn-quick quench mix-lean burn combustor. The computer program developed was based on the density-weighted, ensemble-averaged conservation equations of mass, momentum (full compressible Navier-Stokes), total energy, and species, closed by a k-epsilon turbulence model with wall functions. The combustion process was modeled by a two-step global reaction mechanism, and NO(x) formation was modeled by the Zeldovich mechanism. The formulation employed in the computer program and the essence of the numerical method of solution are described. Some results obtained for nonreacting and reacting flows with different main-flow to dilution-jet momentum flux ratios are also presented.

Shih, Tom I.-P.↗
NASA NTRS1991

Reaction of Ti and Ti-Al alloys with alumina

The reaction of single-crystal Al2O3 with pure Ti and Ti-Al alloys with different Al concentrations was examined in the temperature range of 1173 to 1573 K. Significant reaction occurred between Al2O3 and the Ti-Al alloys with Al concentrations lower than that corresponding to the gamma-TiAl phase. The reaction mechanism was determined to be simultaneous diffusion of Al and atomic oxygen from Al2O3 into Ti and the Ti-Al alloys.

Misra, Ajay K.↗
NASA NTRS1991

Numerical study of high-area-ratio H2/O2 rocket nozzles

Calculations were made for high-area-ratio H2/O2 rocket nozzles by using the RPLUS code which employs an implicit finite volume, lower-upper symmetric successive over-relaxation scheme to solve the Navier-Stokes equations and the species equations in a coupled manner. The combustion processes of hydrogen and oxygen are modeled by an 8-species and 18-step reaction mechanism, and the turbulence is simulated by the Baldwin-Lomax turbulence model with a pressure gradient correction on the van Driest's damping constant in the inner-layer model. The calculated results for two different rocket nozzles are presented as contours, profiles, and performance values. The predicted specific impulse and thrust agree well with the experimental data and those from the industry standard code. It is demonstrated that the RPLUS code can be used for analysis of rocket nozzles.

Kim, S. C.↗
NASA NTRS1990

Hyperthermal atomic oxygen reactions with kapton and polyethylene

Gas phase reaction products produced by the interaction of high kinetic energy (1-3 eV) 3p ground state atomic oxygen (AO) with polyethylene and kapton were found to be H2, H2O, CO, and CO2 with NO being a possible secondary product from kapton. Hydrogen abstraction at high AO kinetic energy is postulated to be the key reaction controlling the erosion rate of kapton and polyethylene. An Arrhenius-like expression having an activation barrier of 0.4 eV can be fit to the data, which suggests that the rate limiting step in the AO/kapton reaction mechanism can be overcome by translational energy.

Cross, J. B.↗
NASA NTRS1991

Photochemical reactions of cyanoacetylene and dicyanoacetylene: Possible processes in Titan's atmosphere

Titan has an atmosphere which is subject to dramatic chemical evolution due mainly to the dramatic effect of the UV flux from the Sun. The energetic solar photons and other particles are converting the methane-nitrogen atmosphere into the unsaturated carbon compounds observed by the Voyager probes. These same solar photons are also converting some of these unsaturated reaction products into the aerosols observed in the atmosphere which obscure the view of the surface of Titan. In particular, the photochemical reactions of cyanoacetylene, dicyanoacetylene, acetylene and ethylene may result in the formation of the higher hydrocarbons and polymers which result in the aerosols observed in Titan's atmosphere. Polymers are the principal reaction products formed by irradiation of cyanoacetylene and dicyanoacetylene. Irradiation of cyanoacetylene with 185 nm of light also yields 1,3,5-tricyanobenzene while irradiation at 254 nm yields 1,2,4-tricyanobenzene and tetracyano cyclooctatetraenes. Photolyses of mixtures of cyanoacetylene and acetylene yields mono- and di- cyanobenzenes. The 1-Cyanocyclobutene is formed from the photochemical addition of cyanoacetylene with ethylene. The photolysis of dicyanoacetylene with acetylene yields 2,3-dicyano-1,3-butadiene and 1,2-dicyanobenzene. Tetracyano cyclooctatetraene products were also observed in the photolysis of mixtures of dicyanoacetylene and acetylene with 254 nm light. The 1,2-Dicyano cyclobutene is obtained from the photolysis dicyanoacetylene and ethylene. Reaction mechanisms will be proposed to explain the observed photoproducts.

Ferris, J. P.↗
NASA NTRS1991

Center for Macromolecular Crystallography, University of Alabama in Birmingham

Porcine pancreatic elastase (PPE) crystals grown under microgravity conditions on mission STS-26 of the Space Shuttle Discovery were shown to diffract to considerably higher resolution than the best PPE crystals grown by us on the ground. We have now independently refined both the microgravity and ground-based data. Preliminary results of these refinements are summarized. These results show nearly a doubling of experimental diffraction data for this structure, exceeding 1.3 A resolution. Improved phase information derived from the refined structure of PPE based on this microgravity data has allowed us to interpret previously-uninterpretable electron density obtained from ground-based crystals of a complex of PPE with a chemically-reactive inhibitor. Intermediate stages in the enzyme-inhibitor reaction mechanism in the crystal can now be directly observed. Further refinement of PPE structures is in progress.

Navia, Manuel A.↗
NASA NTRS1992

Reactive collision terms for fluid transport theory

A modified Bhatnagar-Gross-Krook (BGK) collision method is used for the derivation of reactive collision terms to allow for complete higher-moment approximations in fluid transport theory. The general reactive collision terms for the 8-, 10- and 13-moment approximation for binary reactions are derived. Then, reactive collision terms for specific chemistry are derived with the assumptions: (1) all reactants and products have 13-moment distribution functions; (2) simple, classical assumptions provide sufficient models for reaction dynamics; and (3) the reaction rate is energy-independent. The derived specific formulas reflect two extremes in reactive collision dynamics: direct and indirect reaction mechanisms. Finally, considerations for correct use of the reactive collision terms are discussed in the context of space plasma environments.

Eccles, J. V.↗
NASA NTRS1992

Computational analysis of liquid hypergolic propellant rocket engines

The combustion process in liquid rocket engines depends on a number of complex phenomena such as atomization, vaporization, spray dynamics, mixing, and reaction mechanisms. A computational tool to study their mutual interactions is developed to help analyze these processes with a view of improving existing designs and optimizing future designs of the thrust chamber. The focus of the article is on the analysis of the Variable Thrust Engine for the Orbit Maneuvering Vehicle. This engine uses a hypergolic liquid bipropellant combination of monomethyl hydrazine as fuel and nitrogen tetroxide as oxidizer.

Krishnan, A.↗
NASA NTRS1992

Chronopotentiometry of refractory metals, actinides and oxyanions in molten salts: A review

The applications of chronopotentiometry to the study of electrochemical behavior of three technologically important areas of refractory metals, actinides, and oxyanions in molten salts are critically reviewed. Chronopotentiometry is a very versatile diagnostic tool to understand the reaction mechanism of the electrode processes for the electrochemical reduction/oxidation of these electroactive species in molten salt solutions. Well adherent, compact, and uniformly thick coatings of refractory metals may be electrodeposited from their solutions in molten salts.

Bansal, Narottam P.↗
NASA NTRS1992

Determination of the oxidative stability of perfluoropolyalkyl ethers and correlation with chemical structure

The oxidative stabilities of several perfluoropolyalkyl ethers (PFPAE) with related chemical structures were determined by thermal gravimetric analysis and correlated with their chemical structures. These results show that oxidative stability increases as the number of difluoroformal groups decreases and as trifluoromethyl substituents are added. They are also consistent with a recently proposed intramolecular disproportionation reaction mechanism involving coordination of successive ether oxygens to a Lewis acid. Since polytetrafluoroethylene contains no oxygen, it provides an indication of the upper limit to oxidative stability of PFPAE fluids. These results also show that oxidative decomposition of PFPAE fluids requires the presence of an active metal as well as air. Consequently, it may be possible to minimize decomposition and thus improve oxidative stability by passivating reactive metal surfaces.

Helmick, Larry S.↗
NASA NTRS1992

Numerical simulation of shock-induced combustion/detonation

A numerical study is conducted to simulate the shock-induced combustion in premixed H2-air mixtures. Two types of bodies, blunt (spherical projectile) and sharp (wedge), are considered in the study. A nine-species, 18-step finite-rate H2-air chemical reaction mechanism coupled with the Navier-Stokes equations is solved. The flow field over the blunt body is found to be unsteady, when the projectile velocity is same as the Chapman-Jouget velocity of the mixture. The unsteadiness is caused by the periodic instabilities originating in the stagnation zone. Numerical results show good qualitative agreement with the ballistic range shadowgraph. In addition, the frequency of oscillations, determined by using the Fourier power spectrum, is found to be in good agreement with the experiment. The flow field over the wedge is found to be stable for the conditions considered in this study. The oblique detonation wave structure is investigated and the important flow features are discussed.

Singh, D. J.↗
NASA NTRS1993

Growth kinetics and characterizations of gallium nitride thin films by remote PECVD

Thin films of GaN have been deposited at relatively low growth temperatures by remote plasma-enhanced chemical-vapor deposition (RPECVD), using a plasma excited NH3, and trimethylgallium (TMG), injected downstream from the plasma. The activation energy for GaN growth has been tentatively assigned to the dissociation of NH groups as the primary N-atom precursors in the surface reaction with adsorbed TMG, or TMG fragments. At high He flow rates, an abrupt increase in the growth rate is observed and corresponds to a change in the reaction mechanism attributed to the formation of atomic N. XRD reveals an increased tendency to ordered growth in the (0001) direction with increasing growth temperature, He flow rate, and RF plasma power. IR spectra show the fundamental lattice mode of GaN at 530 cm without evidence for vibrational modes of hydrocarbon groups.

Choi, S. W.↗
NASA NTRS1993

Burning of a spherical fuel droplet in a uniform flowfield with exact property variation

An analytical/numerical model is developed for single droplet evaporation and burning in a convective flowfield. The model is based on the boundary-layer approach, and chemical reaction kinetics are represented by a one-step, finite-rate reaction mechanism, while variation of gas properties with temperature and gas composition is based on the kinetic theory of gases. Four droplet models differing in the degree of complexity concerning property variation and chemistry are compared. Comparisons are also provided with existing empirical correlations for convective droplet evaporation and burning.

Madooglu, K.↗
NASA NTRS1993

Carbonate formation on Mars: Latest experiments

Laboratory simulations of Martian CO2 storage address whether carbonate formation could have reduced CO2 pressure from a hypothetical greater than 1 bar to the present 7 mbar in less than or equal to 3 to 4 billion years. This problem is addressed with experiments and analysis designed to verify and improve previous kinetic measurements, reaction mechanisms, and product characterizations, with the goal of improving existing models of Martian CO2 history. A sensitive manometer monitored the pressure drop of CO2 due to uptake by powdered silicate for periods of 3 to 100+ days. Pressure drops for diopside 1 and basalt show rapid short-term (approximately one day) CO2 uptake and considerably slower long-term pressure drops. Curves for diopside 2, olivine 1, and olivine 2 are qualitatively similar to those for diopside 1, whereas quartz and plagioclase show near-zero short-term pressure drops and very slow long-term signals, indistinguishable from a leak (less than 10(exp 11) mol/sq m/s).

Stephens, S. K.↗
NASA NTRS1992

Theoretical study of thermodynamic properties and reaction rates of importance in the high-speed research program

One of the primary goals of NASA's high-speed research program is to determine the feasibility of designing an environmentally safe commercial supersonic transport airplane. The largest environmental concern is focused on the amount of ozone destroying nitrogen oxides (NO(x)) that would be injected into the lower stratosphere during the cruise portion of the flight. The limitations placed on NO(x) emission require more than an order of magnitude reduction over current engine designs. To develop strategies to meet this goal requires first gaining a fundamental understanding of the combustion chemistry. To accurately model the combustor requires a computational fluid dynamics approach that includes both turbulence and chemistry. Since many of the important chemical processes in this regime involve highly reactive radicals, an experimental determination of the required thermodynamic data and rate constants is often very difficult. Unlike experimental approaches, theoretical methods are as applicable to highly reactive species as stable ones. Also our approximation of treating the dynamics classically becomes more accurate with increasing temperature. In this article we review recent progress in generating thermodynamic properties and rate constants that are required to understand NO(x) formation in the combustion process. We also describe our one-dimensional modeling efforts to validate an NH3 combustion reaction mechanism. We have been working in collaboration with researchers at LeRC, to ensure that our theoretical work is focused on the most important thermodynamic quantities and rate constants required in the chemical data base.

Langhoff, Stephen↗
NASA NTRS1994

Radiative interactions in multi-dimensional chemically reacting flows using Monte Carlo simulations

The Monte Carlo method (MCM) is applied to analyze radiative heat transfer in nongray gases. The nongray model employed is based on the statistical narrow band model with an exponential-tailed inverse intensity distribution. The amount and transfer of the emitted radiative energy in a finite volume element within a medium are considered in an exact manner. The spectral correlation between transmittances of two different segments of the same path in a medium makes the statistical relationship different from the conventional relationship, which only provides the non-correlated results for nongray methods is discussed. Validation of the Monte Carlo formulations is conducted by comparing results of this method of other solutions. In order to further establish the validity of the MCM, a relatively simple problem of radiative interactions in laminar parallel plate flows is considered. One-dimensional correlated Monte Carlo formulations are applied to investigate radiative heat transfer. The nongray Monte Carlo solutions are also obtained for the same problem and they also essentially match the available analytical solutions. the exact correlated and non-correlated Monte Carlo formulations are very complicated for multi-dimensional systems. However, by introducing the assumption of an infinitesimal volume element, the approximate correlated and non-correlated formulations are obtained which are much simpler than the exact formulations. Consideration of different problems and comparison of different solutions reveal that the approximate and exact correlated solutions agree very well, and so do the approximate and exact non-correlated solutions. However, the two non-correlated solutions have no physical meaning because they significantly differ from the correlated solutions. An accurate prediction of radiative heat transfer in any nongray and multi-dimensional system is possible by using the approximate correlated formulations. Radiative interactions are investigated in chemically reacting compressible flows of premixed hydrogen and air in an expanding nozzle. The governing equations are based on the fully elliptic Navier-Stokes equations. Chemical reaction mechanisms were described by a finite rate chemistry model. The correlated Monte Carlo method developed earlier was employed to simulate multi-dimensional radiative heat transfer. Results obtained demonstrate that radiative effects on the flowfield are minimal but radiative effects on the wall heat transfer are significant. Extensive parametric studies are conducted to investigate the effects of equivalence ratio, wall temperature, inlet flow temperature, and nozzle size on the radiative and conductive wall fluxes.

Liu, Jiwen↗