Search NASA⌕ Search

SEARCH · Search NASA

Results for “catalysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

O(-) identified at high temperatures in CaO-based catalysts for oxidative methane dimerization

A technique called charge-distribution analysis (CDA) is employed to study mobile charge carriers in the oxidation catalysts CaO, CaO with 11 percent Na2O, and CaO with 10 percent La2O3. A threshold temperature of about 550-600 C is identified at which highly mobile charge carriers are present, and the CDA studies show that they are O(-) states. The present investigation indicates the usefulness of CDA in catalysis research with pressed powder samples and gas/solid reactions.

Freund, F.↗
NASA NTRS1991

Catalytic oxidation for treatment of ECLSS and PMMS waste streams

It is shown that catalytic oxidation is an effective technique for the removal of trace organic contaminants in a multifiltration potable processor's effluent. Essential elements of this technology are devices that deliver oxygen to the influent, and remove gaseous reaction byproducts from the effluent, via hollow-tube, gas-permeable membranes. Iodine, which poisons existing catalysis, is removed by a small deiodination bed prior to catalytic reactor entrance. The catalyst used is a mixture of Pt and Ru deposited on carbon, operating at 125-160 C and 39-90 psi pressures.

Akse, James R.↗
NASA NTRS1992

Numerical procedures for three-dimensional computational surface thermochemistry

Models and equations for surface thermochemistry and near-surface thermophysics of aerodynamically-heated thermal protection materials are reviewed, with particular emphasis on computational boundary conditions for surface mass and energy transfer. The surface energy and mass balances, coupled with an appropriate ablation or surface catalysis model, provide complete thermochemical boundary conditions for a true multidisciplinary solution of the fully coupled fluid-dynamics/solid mechanics problem. Practical approximate solutions can be obtained by using a detailed model with full thermophysics for either the solid or fluid phase amd a semianalytic method for the other half of the problem. A significant increase in the state-of-the-art in aerothermal computational fluid dynamics is possible by uniting CFD methodology with surface thermochemistry boundary conditions and the heat-balance-integral method.

Milos, Frank S.↗
NASA NTRS1992

Characteristics of the Shuttle Orbiter leeside flow during a reentry condition

A study of the leeside flow characteristics of the Shuttle Orbiter is presented for a reentry flight condition. The flow is computed using a point-implicit, finite-volume scheme known as the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA). LAURA is a second-order accurate, laminar Navier-Stokes solver, incorporating finite-rate chemistry with a radiative equilibrium wall temperature distribution and finite-rate wall catalysis. The resulting computational solution is analyzed in terms of salient flow features and the surface quantities are compared with flight data.

Kleb, William L.↗
NASA NTRS1992

Effect of non-equilibrium flow chemistry on the heating distribution over the MESUR forebody during a Martian entry

Effect of flow field properties on the heating distribution over a 140 deg blunt cone was determined for a Martian atmosphere using Euler, Navier-Stokes (NS), viscous shock layer (VSL), and reacting boundary layer (BLIMPK) equations. The effect of gas kinetics on the flow field and the surface heating distribution were investigated. Gas models with nine species and nine reactions were implemented into the codes. Effects of surface catalysis on the heating distribution were studied using a surface kinetics model having five reactions.

Chen, Yih-Kang↗
NASA NTRS1993

Analysis of hypersonic arcjet flow fields and surface heating of blunt bodies

A Gauss-Seidel implicit aerothermodynamic Navier-Stokes computational CFD code with thermochemical surface conditions (GIANTS) and with appropriate boundary conditions was developed for the analysis of hypersonic arcjet flows over large angle blunt bodies. Two-dimensional axisymmetric multicomponent full Navier-Stokes equations were solved, together with boundary conditions, to account for the surface slip, surface catalysis, and energy and mass conservation at the body surface. It is shown that the predictions for isothermal, noncatalytic, and no-slip surface conditions which are made using the GIANTS code with simple boundary conditions agree with those of the LAURA code, and the predicted normalized heating distributions over the forebody surface with boundary conditions for various cone angles are consistent with the trends of data from arcjet experiments.

Chen, Y.-K.↗
NASA NTRS1992

Catalytic oxidation for treatment of ECLSS and PMMS waste streams

Catalytic oxidation was added to the baseline multifiltration technology for use on the Space Station Freedom in order to convert low-molecular weight organic waste components such as alcohols, aldehydes, ketones, amides, and thiocarbamides to CO2 at low temperature (121 C), thereby reducing the total organic carbon (TOC) to below 500 ppb. The rate of reaction for the catalytic oxidation of aqueous organics to CO2 and water depends primarily upon the catalyst, temperature, and concentration of reactants. This paper describes a kinetic study conducted to determine the impact of each of these parameters upon the reaction rate. The results indicate that a classic kinetic model, the Langmuir-Hinshelwood rate equation for heterogeneous catalysis, can accurately represent the functional dependencies of this rate.

Akse, James R.↗
NASA NTRS1992

Wall catalytic recombination and boundary conditions in nonequilibrium hypersonic flows - With applications

The meaning of catalysis and its relation to aerodynamic heating in nonequilibrium hypersonic flows are discussed. The species equations are described and boundary conditions for them are derived for a multicomponent gas and for a binary gas. Slip effects are included for application of continuum methods to low-density flows. Measurement techniques for determining catalytic wall recombination rates are discussed. Among them are experiments carried out in arc jets as well as flow reactors. Diagnostic methods for determining the atom or molecule concentrations in the flow are included. Results are given for a number of materials of interest to the aerospace community, including glassy coatings such as the RCG coating of the Space Shuttle and for high temperature refractory metals such as coated niobium. Methods of calculating the heat flux to space vehicles in nonequilibrium flows are described. These methods are applied to the Space Shuttle, the planned Aeroassist Flight Experiment, and a hypersonic slender vehicle such as a transatmospheric vehicle.

Scott, Carl D.↗
NASA NTRS1995

Life Sciences and Space Research 24 (4): Planetary Biology and Origins of Life; Topical Meeting of the COSPAR Interdisciplinary Scientific Commission F (Meeting F3) of the COSPAR Plenary Meeting, 29th, Washington, DC, Aug. 28-Sep. 5, 1992

The proceedings include sessions on extraterrestrial organic chemistry and the origins of life; life on Mars: past, present and future; planetary protection of Mars missions; chemical evolution on Titan; origins and early evolution of biological (a) energy transduction and membranes (b) information and catalysis; and carbon chemistry and isotopic fractionations in astrophysical environments.

Greenberg, J. M.↗
NASA NTRS1994

Review of numerical procedures for computational surface thermochemistry

Models and equations for surface thermochemistry and near-surface thermophysics of aerodynamically heated thermal protection materials are reviewed, with particular emphasis on computational boundary conditions for surface mass and energy transfer. The surface energy and mass balances, coupled with an appropriate ablation or surface catalysis model, provide complete thermochemical boundary conditions for a true multidisciplinary solution of the fully coupled fluid-dynamics/solid mechanics problem. Practical approximate solutions can be obtained by using a detailed model with full thermophysics for either the solid or fluid phase and a semianalytic method for the other half of the problem. A significant increase in the state-of-the-art in aerothermal computational fluid dynamics is possible by uniting computational fluid dynamic (CFD) methodology with surface thermochemistry boundary conditions and the heat-balance-integral method.

SOLID MECHANICS↗
NASA NTRS1993

Applicability of PM3 to transphosphorylation reaction path: Toward designing a minimal ribozyme

A growing body of evidence shows that RNA can catalyze many of the reactions necessary both for replication of genetic material and the possible transition into the modern protein-based world. However, contemporary ribozymes are too large to have self-assembled from a prebiotic oligonucleotide pool. Still, it is likely that the major features of the earliest ribozymes have been preserved as molecular fossils in the catalytic RNA of today. Therefore, the search for a minimal ribozyme has been aimed at finding the necessary structural features of a modern ribozyme (Beaudry and Joyce, 1990). Both a three-dimensional model and quantum chemical calculations are required to quantitatively determine the effects of structural features of the ribozyme on the reaction it catalyzes. Using this model, quantum chemical calculations must be performed to determine quantitatively the effects of structural features on catalysis. Previous studies of the reaction path have been conducted at the ab initio level, but these methods are limited to small models due to enormous computational requirements. Semiempirical methods have been applied to large systems in the past; however, the accuracy of these methods depends largely on a simple model of the ribozyme-catalyzed reaction, or hydrolysis of phosphoric acid. We find that the results are qualitatively similar to ab initio results using large basis sets. Therefore, PM3 is suitable for studying the reaction path of the ribozyme-catalyzed reaction.

Manchester, John I.↗
NASA NTRS1995

ISSOL Meeting, Barcelona, Spain, 1993

Topics in a conference on the origins of life and the evolution of the biosphere include the origin of chirality, prebiotic chemistry of small biomolecules, primitive polymer formation, RNA regulation and control. Early origins of life and the ecology of hydrothermal systems such as ocean floor vents and their simple organisms are examined. The process of mineral catalysis in Montmorillonite as a model for early metabolism is used. The origin of the genetic code and the development of branching in molecular structures of amino acids is described. Studies are reported of the effects of meteorite impact on early Earth life.

Ferris, James P.↗
NASA NTRS1995

Molecular dynamics studies of simple membrane-water interfaces: Structure and functions in the beginnings of cellular life

Molecular dynamics computer simulations of the structure and functions of a simple membrane are performed in order to examine whether membranes provide an environment capable of promoting protobiological evolution. Our model membrane is composed of glycerol 1-monooleate. It is found that the bilayer surface fluctuates in time and space, occasionally creating thinning defects in the membrane. These defects are essential for passive transport of simple ions across membranes because they reduce the Born barrier to this process by approximately 40%. Negative ions are transferred across the bilayer more readily than positive ions due to favorable interactions with the electric field at the membrane-water interface. Passive transport of neutral molecules is, in general, more complex than predicted by the solubility-diffusion model. In particular, molecules which exhibit sufficient hydrophilicity and lipophilicity concentrate near membrane surfaces and experience 'interfacial resistance' to transport. The membrane-water interface forms an environment suitable for heterogeneous catalysis. Several possible mechanisms leading to an increase of reaction rates at the interface are discussed. We conclude that vesicles have many properties that make them very good candidates for earliest protocells. Some potentially fruitful directions of experimental and theoretical research on this subject are proposed.

Pohorille, Andrew↗
NASA NTRS1995

Evidence for organic synthesis in high temperature aqueous media - facts and prognosis

Hydrothermal systems are common along the active tectonic areas of the earth. Potential sites being studied for organic matter alteration and possible organic synthesis are spreading ridges, off-axis systems, back-arc activity, hot spots, volcanism, and subduction. Organic matter alteration, primarily reductive and generally from immature organic detritus, occurs in these high temperature and rapid fluid flow hydrothermal regimes. Hot circulating water (temperature range - warm to greater than 400 C) is responsible for these molecular alterations, expulsion and migration. Compounds that are obviously synthesized are minor components because they are generally masked by the pyrolysis products formed from contemporary natural organic precursors. The reactivity of organic compounds in hot water (200-350 C) has been studied in autoclaves, and supercritical water as a medium for chemistry has also been evaluated. This high temperature aqueous organic chemistry and the strong reducing conditions of the natural systems suggest this as an important route to produce organic compounds on the primitive earth. Thus a better understanding of the potential syntheses of organic compounds in hydrothermal systems will require investigations of the chemistry of condensation, autocatalysis, catalysis and hydrolysis reactions in aqueous mineral buffered systems over a range of temperatures from warm to greater than 400 C.

Simoneit, Bernd R. T.↗
NASA NTRS1995

Analytical studies of hypersonic viscous dissociated flows

This project primarily dealt with integral boundary-layer solution techniques that are directly applicable to the problem of determining aerodynamic heating rates of hypersonic vehicles like X-33 in the vicinity of stagnation points, windward centerlines, and swept-wing leading edges. The analyses include effects of finite-rate gas chemistry across the boundary layer and finite-rate catalysis of atom recombination at the surface. A new approach for combining the insight afforded by integral boundary-layer analysis with comprehensive (and expensive) computational fluid dynamic (CFD) flowfield solutions of the thin-layer Navier-Stokes equations was developed. The approach extracts CFD derived quantities at the wall and at the boundary layer edge for inclusion in a post-processing boundary-layer analysis. The post-processed data base allows a designer at a workstation to ask and answer the following questions: (1) How much does the heating change if one uses a thermal protection system (TPS) with different catalytic properties than was used in the original CFD solution? (2) How does the heating change when one moves the interface of two different TPS materials with different catalytic efficiencies for the purpose of reducing vehicle weight and expense? The answer to the second question is particularly critical, because abrupt changes from low catalytic efficiency to high catalytic efficiency can lead to localized increase in heating which exceeds the usually conservative estimate provided by a fully catalytic wall assumption. A secondary issue that was addressed involves the prediction of heating levels in the vicinity of sharp corners that are transverse to or aligned with the flow. An example of the first case is heating at the edge of the COMET reentry module. An example of the second case is heating along the side edge of a deflected body flap on an SSV. The difficulty of putting grids in the vicinity of such corners with continuously varying metric coefficients causes problems in CFD predictions. A preliminary theory for prediction that says the heating at the corner is X percent of the heating N boundary-layer thicknesses inboard was developed. This will prove useful to analytically evaluate the possible benefits of rounding the edges of these configurations and defining how much rounding is sufficient.

Inger, George R.↗
NASA NTRS1996

Incorporation of New Benzofulvene Derivatives Into Polymers to Give New NLO Materials

The need for fast electro-optic switches and modulators for optical communication, and laser frequency conversion has created a demand for new second-order non-linear optical materials. One approach to produce such materials is to align chromophores with large molecular hyperpolarizabilities in polymers. Recently fulvenes and benzofulvenes which contain electron donating groups have been shown to exhibit large second-order non-linear optical properties. The resonance structures shown below suggest that intramolecular charge transfer (ICT) should be favorable in omega - (hydroxyphenyl)benzofulvenes and even more favorable in omega-omega - (phenoxy)benzofulvenes because of the enhanced donor properties of the O group. This ICT should lead to enormously enhanced second-order hyperpolarizability. We have prepared all three new omega - (hydroxyphenyl)benzofulvenes by the condensation of indene with the appropriate hydroxyaryl aldehyde in MeOH or MeOH/H2O under base catalysis. In a similar fashion we have prepared substituted benzofulvenes with multipal donor groups. Preliminary studies show that some of our benzofulvene derivatives exhibit second order harmonic generation (SHG). Measurements were carried out by preparing host-guest polymers. The results of our work on benzofulvene derivatives in host-guest polymers when covalently bonded in the polymer will be described.

Bowens, Andrea D.↗
NASA NTRS1996

Oligomerization of Negatively-Charged Amino Acids by Carbonyldiimidazole

The carbonyldiimidazole-induced oligomerizations of aspartic acid, glutamic acid and 0-phospho-serine are amongst the most efficient reported syntheses of biopolymers in aqueous solution. The dependence of the yields of products on the concentrations of reagents, the temperature and the enantiomeric composition of the substrate amino acids are reported. Catalysis by metal ions, particularly by Mg(2+), is described. These reactions do not generate significant amounts of material in the size-range of several tens of residues that are thought to be needed for a polymer to function as a genetic material.

Hill, Aubrey R., Jr.↗
NASA NTRS1992

An Extraordinary Accumulation of (-)-Pinoresinol in Cell-Free Extracts of Forsythia intermedia: Evidence for Enantiospecific Reduction of (+)-Pinoresinol

Stereoselective and enantiospecific transformation mechanisms in lignan biogenesis are only now yielding to scientific inquiry: it has been shown that soluble cell-free preparations from Forsythia intermedia catalysis the formation of the enantiomerically pure lignan, (-)-secoisolariciresinol, when incubated with coniferyl alcohol in the presence of NAD(P)H and H2O2. Surprisingly, (-)-pinoresinol also accumulates in this soluble cell-free assay mixture in greater than 96% enantiomeric excess, even though it is not the naturally occurring antipode present in Forsythia sp. But these soluble cell-free preparations do not engender stereoselective coupling; instead, racemic pinoresinols are first formed, catalysed by an H2O2-dependent peroxidase reaction. An enantiospecific NAD(P)H reductase then converts (+)- pinoresinol, and not the (-)-antipode, into (-)-secoisolariciresinol. Stereoselective syntheis of(+)-pinoresinol from E-coniferyl alcohol is, however, catalysed by an insoluble enzyme preparation in F. suspensa, obtained following removal of readily soluble and ionically bound enzymes; no exogenously supplied cofactors were required other than oxygen, although the reaction was stimulated by NAD-malate addition. Thus, the overall biochemical pathway to enantiomerically pure (-)-secoisolariciresinol has been delineated.

Katayama, Takeshi↗