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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Reflectance spectroscopy of fresh whole leaves for the estimation of chemical concentration

Remotely sensed plant-canopy data in the visible and near-IR ranges are used to establish relations between the canopy reflectance and the chemical content of the leaves. The mathematical relation is generated by means of stepwise regression based on the derivative reflectance at certain wavelengths. Fourier filtering and sample control are used to minimize instrument noise and spectral overlap respectively, and absorption features are noted that correspond to sugar and protein. The coefficients of determination between estimated and measured concentrations are at least 0.82 for such substances as starch and chlorophyll. It is recommended in the analysis of remotly sensed canopy data that the chemicals with strong spectral overlaps with the chemical of interest be accounted for in order to estimate foliar chemical concentrations accurately.

Curran, Paul J.↗
NASA NTRS1993

Improved inhalation technology for setting safe exposure levels for workplace chemicals

Threshold Limit Values recommended as allowable air concentrations of a chemical in the workplace are often based upon a no-observable-effect-level (NOEL) determined by experimental inhalation studies using rodents. A 'safe level' for human exposure must then be estimated by the use of generalized safety factors in attempts to extrapolate from experimental rodents to man. The recent development of chemical-specific physiologically-based toxicokinetics makes use of measured physiological, biochemical, and metabolic parameters to construct a validated model that is able to 'scale-up' rodent response data to predict the behavior of the chemical in man. This procedure is made possible by recent advances in personal computer software and the emergence of appropriate biological data, and provides an analytical tool for much more reliable risk evaluation and airborne chemical exposure level setting for humans.

Stuart, Bruce O.↗
NASA NTRS1993

A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

Gokoglu, S. A.↗
NASA NTRS1992

Prediction of Chemical Vapor Deposition Rates on Monofilaments and Its Implications for Fiber Properties

Deposition rates are predicted in a cylindrical upflow reactor designed for chemical vapor deposition (CVD) on monofilaments. Deposition of silicon from silane in a hydrogen carrier gas is chosen as a relevant example. The effects of gas and surface chemistry are studied in a two-dimensional axisymmetric flow field for this chemically well-studied system. Model predictions are compared to experimental CVD rate measurements. The differences in some physical and chemical phenomena between such small diameter (about 150 microns) fiber substrates and other typical CVD substrates are highlighted. The influence of the Soret mass transport mechanism is determined to be extraordinarily significant. The difficulties associated with the accurate measurement and control of the fiber temperature are discussed. Model prediction sensitivities are investigated with respect to fiber temperatures, fiber radii, Soret transport, and chemical kinetic parameters. The implications of the predicted instantaneous rates are discussed relative to the desired fiber properties for both the batch and the continuous processes.

Gokoglu, S. A.↗
NASA NTRS1991

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗
NASA NTRS1993

Numerical investigation of complex, transitional, and chemically reacting flows

This document is divided into two parts. Part A, on turbulent transport of chemical species in compressible reacting flows, includes the following topics: mixing of chemical species in reacting flows; chemically reacting turbulent flows; turbulent mixing of chemical species in reacting flows, which includes large eddy mixing, turbulent mixing, and molecular mixing; multiple time scale turbulence equations; species conservation equations for reacting flows; and a finite volume numerical method. Part B, on unsteady transitional flows over forced oscillatory surfaces, discusses unsteady transitional flow equations with moving boundaries and the application of the finite volume numerical solution method.

Kim, S.-W.↗
NASA NTRS1994

Calculation of Propulsive Nozzle Flowfields in Multidiffusing Chemically Reacting Environments

An advanced engineering model has been developed to aid in the analysis and design of hydrogen/oxygen chemical rocket engines. The complete multispecies, chemically reacting and multidiffusing Navier-Stokes equations are modelled, including the Soret thermal diffusion and the Dufour energy transfer terms. In addition to the spectrum of multispecies aspects developed, the model developed in this study is also conservative in axisymmetric flow for both inviscid and viscous flow environments and the boundary conditions employ a viscous, chemically reacting, reference plane characteristics method. Demonstration cases are presented for a 1030:1 area ratio nozzle, a 25 lbf film cooled nozzle, and a transpiration cooled plug and spool rocket engine. The results indicate that the thrust coefficient predictions of the 1030:1 and the 25 lbf film cooled nozzle are within 0.2 to 0.5 percent, respectively, of experimental measurements when all of the chemical reaction and diffusion terms are considered. Further, the model's predictions agree very well with the heat transfer measurements made in all of the nozzle test cases. The Soret thermal diffusion term is demonstrated to have a significant effect on the predicted mass fraction of hydrogen along the wall of the nozzle in both the laminar flow 1030:1 nozzle and the turbulent flow plug and spool nozzle analysis cases performed. Further, the Soret term was shown to represent an important fraction of the diffusion fluxes occurring in a transpiration cooled rocket engine.

Kacynski, Kenneth John↗
NASA NTRS1994

Computerized in vitro test for chemical toxicity based on tetrahymena swimming patterns

An apparatus and method for rapidly determining chemical toxicity was evaluated. The toxicity monitor includes an automated scoring of how motile biological cells (Tetrahymena pyriformis) slow down or otherwise change their swimming patterns in a hostile chemical environment. The device, called the Motility Assay Apparatus (MAA) is tested for 30 second determination of chemical toxicity in 20 aqueous samples containing trace organics and salts. With equal or better detection limits, results compare favorably to in vivo animal tests of eye irritancy, in addition to agreeing for all chemicals with previous manual evaluations of single cell motility.

Noever, David A.↗
NASA NTRS1994

Climate-chemical interactions and greenhouse effects of trace gases

A completely coupled one-dimensional radiative-convective (RC) and photochemical-diffusion (PC) model has been developed recently and used to study the climate-chemical interactions. The importance of radiative-chemical interactions within the troposphere and stratosphere has been examined in some detail. We find that increases of radiatively and/or chemically active trace gases such as CO2, CH4 and N2O have both the direct effects and the indirect effects on climate change by changing the atmospheric O3 profile through their interaction with chemical processes in the atmosphere. It is also found that the climatic effect of ozone depends strongly on its vertical distribution throughout the troposphere and stratosphere, as well on its column amount in the atmosphere.

Shi, Guang-Yu↗
NASA NTRS1995

Environmental benefits of chemical propulsion

This paper identifies the necessity of chemical propulsion to satellite usage and some of the benefits accrued through monitoring global resources and patterns, including the Global Climate Change Model (GCM). The paper also summarized how the satellite observations are used to affect national and international policies. Chemical propulsion, like all environmentally conscious industries, does provide limited, controlled pollutant sources through its manufacture and usage. However, chemical propulsion is the sole source which enables mankind to launch spacecraft and monitor the Earth. The information provided by remote sensing directly affects national and international policies designed to protect the environment and enhance the overall quality of life on Earth. The resultant of chemical propulsion is the capability to reduce overall pollutant emissions to the benefit of mankind.

Hayes, Joyce A.↗
NASA NTRS1994

Chemical transitions for interstellar C2 and CN in cloud envelopes

Observations were made of absorption from CH, C2, and CN toward moderately reddened stars in Sco, OB2, Ceo OB3, and Taurus/Auriga. For these directions, most of the reddening is associated with a single cloud complex, for example, the rho Ophiuchus molecular cloud, and as a result, the observations probe moderately dense material. When combined with avaliable data for nearby directions, the survey provides the basis for a comprehensive analysis of the chemistry for these species. The chemical transitions affecting C2 and CN in cloud envelopes were analyzed. The depth into a cloud at which a transition takes place was characterized by tau(sub uv), the grain optical depth at 1000 A. One transition at tau(sub uv) approx. = 2, which arises from, the conversion of C(+) into CO, affects the chemistries for both molecules because of the key role this ion plays. A second one involving production terms in the CN chemistry occurs at tau(sub uv) of approx. = 3; neutral reactions which C2 and CH is more important at larger values for tau(sub uv). The transition from photodissociation to chemical destruction takes place at tau(sub uv) approx. = 4.5 for C2 and CN. The observational data for stars in Sco OB2, Cep OB3, and Taurus/Auriga were studied with chemical rate equations containing the most important production and destruction mechanisms. Because the sample of stars in Sco OB2 includes sight lines with A(sub v) ranging from 1-4 mag, sight lines dominated by photochemistry could be analyzed separately from those controlled by gas-phase destruction. The analysis yielded values for two poorly known rate constants for reactions involved in the production of CN; the reactions are C2 + N yields CN + C and C(+) + NH yields all products. The other directions were analyzed with the inferred values. The predicted column densities for C2 and CN agree with the observed values to better than 50%, and in most instances 20%. When combining the estimates for density and temperature derived from chemical modeling and molecular excitation for a specific cloud, such as the rho Ophiuchus molecular cloud, the portion of the cloud envelope probed by C2 and CN absorption was found to be in pressure equilibrium.

Federman, S. R.↗
NASA NTRS1994

The chemical and radiative effects of the Mount Pinatubo eruption

To clarify the mechanisms leading to effects on stratospheric ozone, time-dependent stratospheric aerosol and gas experiment II (SAGE II) and cryogenic limb array elaton spectrometer (CLAES) aerosol optical extinction data and SAGE II surface area density are used as parameters in a two-dimensional (2-D) zonally averaged chemical radiative transport model. The model was integrated with time from before the eruption through December 1993. The modeled impact on global ozone results from increased rates of heterogeneous reactions on sulfate aerosols and from the increased radiative heating and scattering caused by these aerosols. When the aerosol heating is allowed to modify the temperature distribution, the maximum change calculated in equatorial column ozone is -1.6%. The calculated equatorial temperature change and peak local ozone change in October 1991 are +6K and -4%, respectively. When aerosol heating perturbs the circulation in the model, the maximum change in equatorial column ozone is -6%. Increased heterogeneous processing on sulfate aerosols is calculated to have changed equatorial column ozone in late 1991 by -1.5%. Global column ozone in the model in 1992 and 1993 changed by -2.8% and -2.4%, respectively. The relationship of ozone-controlling processes in the lower stratosphere is altered as well; HO(x) becomes the most important catalytic cycle, followed by ClO(x) and NO(x). This is driven by significant changes in trace gas concentrations. In October 1991, lower stratospheric, equatorial NO(x) decreased by 40%, ClO(x) increased by 60%, and HO(x) increased by 25%. When the effect of heterogeneous chemical processing on sulfate aerosols is combined with aerosol heating, modifying either circulation or temperature, dramatically different ozone fingerprints with time and latitude are predicted. Model-derived changes in the equatorial region in column ozone best represented the observed data when perturbed circulation was combined with heterogeneous chemical effects. However, at high latitudes, the increased ozone production from the strengthening of the mean circulation tends to cancel the heterogeneous reduction of ozone. This is not in good agreement with observed data, especially in 1992 and 1993. When the circulation is held fixed and the temperature allowed to change, and heterogeneous chemical effects are included, the equatorial ozone decrease predicted was too small for 1991. However, the mid- to high-latitude decrease in 1992 and 1993 is in better agreement with observed data.

Kinneson, Douglas E.↗
NASA NTRS1995

Computing Equilibrium Chemical Compositions

Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

Mcbride, Bonnie J.↗
NASA NTRS1995

Modeling complex chemical effects in turbulent nonpremixed combustion

Virtually all of the energy derived from the consumption of combustibles occurs in systems which utilize turbulent fluid motion. Since combustion is largely related to the mixing of fluids and mixing processes are orders of magnitude more rapid when enhanced by turbulent motion, efficiency criteria dictate that chemically powered devices necessarily involve fluid turbulence. Where combustion occurs concurrently with mixing at an interface between two reactive fluid bodies, this mode of combustion is called nonpremixed combustion. This is distinct from premixed combustion where flame-fronts propagate into a homogeneous mixture of reactants. These two modes are limiting cases in the range of temporal lag between mixing of reactants and the onset of reaction. Nonpremixed combustion occurs where this lag tends to zero, while premixed combustion occurs where this lag tends to infinity. Many combustion processes are hybrids of these two extremes with finite non-zero lag times. Turbulent nonpremixed combustion is important from a practical standpoint because it occurs in gas fired boilers, furnaces, waste incinerators, diesel engines, gas turbine combustors, and afterburners etc. To a large extent, past development of these practical systems involved an empirical methodology. Presently, efficiency standards and emission regulations are being further tightened (Correa 1993), and empiricism has had to give way to more fundamental research in order to understand and effectively model practical combustion processes (Pope 1991). A key element in effective modeling of turbulent combustion is making use of a sufficiently detailed chemical kinetic mechanism. The prediction of pollutant emission such as oxides of nitrogen (NO(x)) and sulphur (SO(x)) unburned hydrocarbons, and particulates demands the use of detailed chemical mechanisms. It is essential that practical models for turbulent nonpremixed combustion are capable of handling large numbers of 'stiff' chemical species equations.

Smith, Nigel S. A.↗
NASA NTRS1995

A Model for the Thermal and Chemical Evolution of the Moon's Interior: Implications for the Onset of Mare Volcanism

Crystallization of the lunar magma ocean creates a chemically stratified Moon consisting of an anorthositic crust and magma ocean cumulates overlying the primitive lunar interior. Within the magma ocean cumulates the last liquids to crystallize form dense, ilmenite-rich cumulates that contain high concentrations of incompatible radioactive elements. The underlying olivine-orthopyroxene cumulates are also stratified with later crystallized, denser, more Fe-rich compositions at the top. This paper explores the chemical and thermal consequences of an internal evolution model accounting for the possible role of these sources of chemical buoyancy. Rayleigh-Taylor instability causes the dense ilmenite-rich cumulate layer and underlying Fe-rich cumulates to sink toward the center of the Moon, forming a dense lunar core. After this overturn, radioactive heating within the ilmenite-rich cumulate core heats the overlying mantle, causing it to melt. In this model, the source region for high-TiO2 mare basalts is a convectively mixed layer above the core-mantle boundary which would contain small and variable amounts of admixed ilmenite and KREEP. This deep high-pressure melting, as required for mare basalts, occurs after a reasonable time interval to explain the onset of mare basalt volcanism if the content of radioactive elements in the core and the chemical density gradients above the core are sufficiently high but within a range of values that might have been present in the Moon. Regardless of details implied by particular model parameters, gravitational overturn driven by the high density of magma ocean Fe-rich cumulates should concentrate high-TiO2 mare basalt sources, and probably a significant fraction of radioactive heating, toward the center of the Moon. This will have important implications for both the thermal evolution of the Moon and for mare basalt genesis.

Hess, Paul C.↗
NASA NTRS1999

Corrosion Evaluation of Aircraft Depainting Chemicals

The National Aeronautics and Space Administration is participating in an interagency task agreement with the Environmental Protection Agency and the United States Air Force to evaluate alternative technologies for aerospace depainting operations that do not adversely affect the environment. An element of this study is directed towards the evaluation of environmentally advantaged chemical paint strippers, specifically, paint strippers that do not contain methylene chloride. Eight environmentally advantaged, or alternative, chemical paint strippers and two methylene chloride, or baseline, paint strippers were obtained from various manufacturers and incorporated into the depainting study. In addition to being evaluated on their ability to remove paint, the potential of these chemicals to promote corrosion and hydrogen embrittlement was evaluated. The corrosion and hydrogen embrittlement potential of the chemical paint strippers are presented in this report.

McGill, Preston↗
NASA NTRS1999

Origin, Bulk Chemical Composition and Physical Structure of the Galilean Satellites of Jupiter: A Post-Galileo Analysis

The origin of Jupiter and the Galilean satellite system is examined in the light of the new data that has been obtained by the NASA Galileo Project. In particular, special attention is given to a theory of satellite origin which was put forward at the start of the Galileo Mission and on the basis of which several predictions have now been proven successful. These predictions concern the chemical composition of Jupiter's atmosphere and the physical structure of the satellites. According to the proposed theory of satellite origin, each of the Galilean satellites formed by chemical condensation and gravitational accumulation of solid grains within a concentric family of orbiting gas rings. These rings were cast off equatorially by the rotating proto-Jovian cloud (PJC which contracted gravitationally to form Jupiter some 4 1/2 billion years ago. The PJC formed from the gas and grains left over from the gas ring that had been shed at Jupiter's orbit by the contracting proto-solar cloud (PSC Supersonic turbulent convection provides the means for shedding discrete gas rings. The temperatures T (sub n) of the system of gas rings shed by the PSC and PJC vary with their respective mean orbital radii R (sub n) (n = 0, 1,2,...) according as T (sub n) proportional to R (sub n) (exp -0.9). If the planet Mercury condenses at 1640 K, so accounting for the high density of that planet via a process of chemical fractionation between iron and silicates, then T (sub n) at Jupiter's orbit is 158 K. Only 35% of the water vapour condenses out. Thus fractionation between rock and ice, together with an enhancement in the abundance of solids relative to gas which takes place through gravitational sedimentation of solids onto the mean orbit of the gas ring, ensures nearly equal proportions of rock and ice in each of Ganymede and Callisto. Io and Europa condense above the H20 ice point and consist solely of hydrated rock (h-rock). The Ganymedan condensate consists of h-rock and H20 ice. For Callisto, NH3 ice makes up -5% of the condensate mass next to h-rock (approximately 50%) and H2O ice (approximately 45%). Detailed thermal and structural models for each of Europa, Ganymede and Callisto are constructed on the basis of the above initial bulk chemical compositions. For Europa (E), a predicted 2-zone model consisting of a dehydrated rock core of mass 0.912 M (sub E) and a 150 km thick frozen mantle of salty H2O yields a moment-of-inertia coefficient which matches the Galileo Orbiter gravity measurement. For Ganymede (G), a 3-zone model possessing an inner core of solid FeS and mass approximately 0.116 M (sub G), and an outer H2O ice mantle of mass approximately 0.502 M (sub G) is needed to explain the gravity data. Ganymede's native magnetic field was formed by thermoremanent magnetization of Fe3O4. A new Callisto (C) model is proposed consisting of a core of mass 0.826 M (sub C) containing a uniform mixture of h-rock (60% by mass) and H2O and NH3 ices, and capped by a mantle of pure ice. This model may have the capacity to yield a thin layer of liquid NH3 (raised dot) 2H2O at the core boundary, in line with Galileo's discovery of an induced magnetic field.

Prentice, A. J. R.↗
NASA NTRS1998

The Postshock Chemical Lifetimes of Outflow Tracers and a Possible New Mechanism to Produce Water Ice Mantles

We have used a coupled time-dependent chemical and dynamical model to investigate the lifetime of the chemical legacy in the wake of C-type shocks. We concentrate this study on the chemistry of H2O and O2, two molecules which are predicted to have abundances that are significantly affected in shock-heated gas. Two models are presented: (1) a three-stage model of preshock, shocked, and postshock gas; and (2) a Monte Carlo cloud simulation where we explore the effects of stochastic shock activity on molecular gas over a cloud lifetime. For both models we separately examine the pure gas-phase chemistry as well as the chemistry including the interactions of molecules with grain surfaces. In agreement with previous studies, we find that shock velocities in excess of 10 km/s are required to convert all of the oxygen not locked in CO into H2O before the gas has an opportunity to cool. For pure gas phase models the lifetime of the high water abundances, or "H2O legacy," in the postshock gas is approximately (4-7) x 10(exp 5) yr, independent of the gas density. A density dependence for the lifetime of H2O is found in gas-grain models as the water molecules deplete onto grains at the depletion timescale. Through the Monte Carlo cloud simulation we demonstrate that the time-average abundance of H2O, the weighted average of the amount of time gas spends in preshock, shock, and postshock stages, is a sensitive function of the frequency of shocks. Thus we predict that the abundance of H2O, and to a lesser extent O2, can be used to trace the history of shock activity in molecular gas. We use previous large-scale surveys of molecular outflows to constrain the frequency of 10 km/s shocks in regions with varying star formation properties and discuss the observations required to test these results. We discuss the postshock lifetimes for other possible outflow tracers (e.g., SiO and CH3OH) and show that the differences between the lifetimes for various tracers can produce potentially observable chemical variations between younger and older outflows. For gas-grain models we find that the abundance of water-ice on grain surfaces can be quite large and is comparable to that observed in molecular clouds. This offers a possible alternative method to create water mantles without resorting to grain surface chemistry: gas heating and chemical modification due to a C-type shock and subsequent depletion of the gas-phase species onto grain mantles.

Bergin, Edwin A.↗