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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Compound-Specific Carbon Isotope Compositions of Aldehydes and Ketones in the Murchison Meteorite

Compound-specific carbon isotope analysis (delta(exp 13)C) of meteoritic organic compounds can be used to elucidate the abiotic chemical reactions involved in their synthesis. The soluble organic content of the Murchison carbonaceous chondrite has been extensively investigated over the years, with a focus on the origins of amino acids and the potential role of Strecker-cyanohydrin synthesis in the early solar system. Previous delta(exp 13)C investigations have targeted alpha-amino acid and alpha-hydroxy acid Strecker products and reactant HCN; however, delta(exp 13)C values for meteoritic aldehydes and ketones (Strecker precursors) have not yet been reported. As such, the distribution of aldehydes and ketones in the cosmos and their role in prebiotic reactions have not been fully investigated. Here, we have applied an optimized O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) derivatization procedure to the extraction, identification, and delta(exp 13)C analysis of carbonyl compounds in the Murchison meteorite. A suite of aldehydes and ketones, dominated by acetaldehyde, propionaldehyde, and acetone, were detected in the sample. delta(exp 13)C values, ranging from -10.0(0/00) to +66.4(0/00), were more (exp 13)C-depleted than would be expected for aldehydes and ketones derived from the interstellar medium, based on interstellar (exp 12)C/(exp 13)C ratios. These relatively (exp 13)C-depleted values suggest that chemical processes taking place in asteroid parent bodies (e.g., oxidation of the IOM) may provide a secondary source of aldehydes and ketones in the solar system. Comparisons between delta(exp 13)C compositions of meteoritic aldehydes and ketones and other organic compound classes were used to evaluate potential structural relationships and associated reactions, including Strecker synthesis and alteration-driven chemical pathways.

meteoritic organic compounds↗
NASA NTRS2002

Investigation of Dynamic and Physical Processes in the Upper Troposphere and Lower Stratosphere

Research under this Cooperative Agreement has been funded by several NASA Earth Science programs: the Atmospheric Effects of Radiation Program (AEAP), the Upper Atmospheric Research Program (UARP), and most recently the Atmospheric Chemistry and Modeling Assessment Program (ACMAP). The purpose of the AEAP was to understand the impact of the present and future fleets of conventional jet traffic on the upper troposphere and lower stratosphere, while complementary airborne observations under UARP seek to understand the complex interactions of dynamical and chemical processes that affect the ozone layer. The ACMAP is a more general program of modeling and data analysis in the general area of atmospheric chemistry and dynamics, and the Radiation Sciences program.

Selkirk, Henry B.↗
NASA NTRS1993

Study and modeling of finite rate chemistry effects in turbulent non-premixed flames

The development of numerical models that reflect some of the most important features of turbulent reacting flows requires information about the behavior of key quantities in well defined combustion regimes. In turbulent flames, the coupling between turbulent and chemical processes is so strong that it is extremely difficult to isolate the role played by one individual physical phenomenon. Direct numerical simulation (hereafter DNS) allows us to study in detail the turbulence-chemistry interaction in some restricted but completely defined situations. Globally, non-premixed flames are controlled by two limiting regimes: the fast chemistry case, where the turbulent flame can be pictured as a random distribution of local chemical equilibrium problems; and the slow chemistry case, where the chemistry integrates in time the turbulent fluctuations. The Damkoehler number, ratio of a mechanical time scale to chemical time scale, is used to distinguish between these regimes. Today most of the industrial computer codes are able to perform predictions in the hypothesis of local equilibrium chemistry using a presumed shape for the probability density function (pdt) of the conserved scalar. However, the finite rate chemistry situation is of great interest because industrial burners usually generate regimes in which, at some points, the flame is undergoing local extinction or at least non-equilibrium situations. Moreover, this variety of situations strongly influences the production of pollutants. To quantify finite rate chemistry effect, the interaction between a non-premixed flame and a free decaying turbulence is studied using DNS. The attention is focused on the dynamic of extinction, and an attempt is made to quantify the effect of the reaction on the small scale mixing process. The unequal diffusivity effect is also addressed. Finally, a simple turbulent combustion model based on the DNS observations and tractable in real flow configurations is proposed.

Vervisch, Luc↗
NASA NTRSDate not supplied

Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗
NASA NTRS2001

Chemical and Flowfield Modeling for Enhanced Analysis of Contamination Experiments

This paper describes the application of a new Direct Simulation Monte Carlo (DSMC) code, the Molecular Beam Simulator (MBS), which is designed to analyze laboratory scale molecular beam-surface (and crossed-beam) experiments. The MBS is primarily intended to model experiments associated with spacecraft contamination effects, but it can also be used to simulate a variety of surface chemistry and reactive flow measurements. The MBS code is fully three-dimensional, includes a wide-range of chemical processes, and can model one or multiple pulsed (non-steady) sources. As an example application of the MBS code, a fast, pulsed, oxygen atom-surface experiment which examines the chemistry behind erosion of graphite by oxygen atoms is analyzed. Unsteady DSMC simulations show that experimental observations of excited molecular states after the pulse has hit the surface are consistent with two distinct chemical mechanisms: a direct one where the excited molecules are formed on the surface, and a two-step mechanism where ground state molecules formed on the surface are collisionally excited after they leave the surface by trailing oxygen atoms in the pulse. Further DSMC calculations suggest experiments which can distinguish between these mechanisms.

Braunstein, Matthew↗
NASA NTRS1978

Nitric oxide production by Tunguska meteor

The nonequilibrium chemical processes of nitric oxide formation are computed for the wake of the Tunguska meteor of 1908. The wake characteristics are derived by carrying out an optically-thick radiation field analysis for ablation of the meteoroid. The wake flow field is approximated by a one-dimensional, well-stirred reactor model. Known characteristics of the Tunguska event are imposed as constraints, and three controlling parameters - chemical composition, density, and velocity - are varied over a range around the values derived by Korobeinikov et al. (1976) and Petrov and Stulov (1975). The calculation shows that at least 19 million tons of nitric oxide is produced between the altitudes of 10 and 50 km. The anomalous atmospheric phenomena following the event are attributed to the reactions involving nitric oxide thus produced and atmospheric ozone. It is speculated that the nitric oxide produced by the event fertilized the area near the fall, causing the observed rapid plant growth.

Park, C.↗
NASA NTRS1996

Chill-Bar Assembly For Cooling Areas Adjacent To Welds

Assembly of custom-shaped water-cooled chill bars developed for use during repair process in which cracks and pinholes in rocket-engine combustion chamber welded closed. Held in required relative geometric relationships by rigid framework, chill bars pressed against surface of chamber to conduct heat away from areas surrounding welds, preventing damage caused by overheating of areas not meant to be welded. Design features beneficial in other welding applications; for example, manufacture and repair of pressure vessels, chemical-processing vessels, and complexly shaped laboratory vacuum vessels.

Hoffman, David S.↗
NASA NTRS2019

Oxidation of the Mantle Wedge by H+ in Aqueous Fluids: A New Interdisciplinary Approach

The observation that arc magmas are the most oxidized on Earth have led petrologists to question whether the subduction process might cause oxidation of the sub-arc mantle source. A strong correlation between the input of slab-derived aqueous fluid and Fe3(+)/ΣFe in arc magmas has led to the hypothesis that slab fluids may facilitiate the transfer of redox potential from oxidized slab material to mantle wedge and subsequently to primary arc melts. Despite this intuitive link, identifying an efficient and ubiquitous chemical process to transfer oxidation state in slab fluids has been challenging. Pure H2O alone is an inefficient oxidizer in the mantle, necessitating another oxidant within the fluid. Commonly invoked components include S or C, which are likely heterogeneously distributed within subducting slabs, and direct transfer of Fe3(+), which is only possible in very solute-rich fluids. Here we present a new mechanism to explain the oxidation of the sub-arc mantle by slab-derived aqueous fluid, wherein dissolved H(+)(aq) is reduced to H2(aq). Redox equilibrium is satisfied by electron transfer from Fe2(+)(s), which is oxidized in the rock to Fe3(+)(s) in the reaction: 2Fe2(+)(s) + 2H(+)(aq) = 2Fe3(+)(s) + H2(aq). This simple reaction was previously overlooked due to the assumption that all H must be bound by H2O molecules (i.e., no dissolved H), applicable to a pure H2O fluid, but not one with a solute load as addressed here. The application of thermodynamic modeling tools from aqueous geochemistry (DEW, EQ3/6) to mantle petrology predicts this reaction between mantle rock and slab fluid with our own experimentally constrained chemistry and fO2 (QFM+2). Mass transfer model results show an increase in Fe3(+)/ΣFe in mantle rock from MORB- like (0.15) to arc-like (0.2–0.3) values at reasonable fluid fluxes, co-incident with increasing H2 activity in the fluid. This can explain the stark correlation between slab fluid input into the mantle wedge and the observed fO2 of arc magmas. Moreover, it does not require diffusion of hydrogen out of the system. Instead, H2 remains dissolved in fluid in equilibrium with oxidized mantle rock.

Iacovino, Kayla↗
NASA NTRS2012

Carbon Isotope Chemistry in Molecular Clouds

Few details of carbon isotope chemistry are known, especially the chemical processes that occur in astronomical environments like molecular clouds. Observational evidence shows that the C-12/C-13 abundance ratios vary due to the location of the C-13 atom within the molecular structure. The different abundances are a result of the diverse formation pathways that can occur. Modeling can be used to explore the production pathways of carbon molecules in an effort to understand and explain the chemical evolution of molecular clouds.

carbon isotopes↗
NASA NTRS1981

Analysis and evaluation in the production process and equipment area of the low-cost solar array project

The attributes of the various metallization processes were investigated. It is shown that several metallization process sequences will lead to adequate metallization for large area, high performance solar cells at a metallization add on price in the range of $6. to 12. m squared, or 4 to $.8/W(peak), assuming 15% efficiency. Conduction layer formation by thick film silver or by tin or tin/lead solder leads to metallization add-on prices significantly above the $6. to 12/m squared range c.) The wet chemical processes of electroless and electrolytic plating for strike/barrier layer and conduction layer formation, respectively, seem to be most cost effective.

Wolf, M.↗
NASA NTRS2024

Tracing Presolar Grain Populations Through Matrix Alteration Histories

Primitive meteorites preserve remnants of evolved stars as presolar grains, from asymptotic and red giant branch stars, novae and supernovae. These grains retain records of the formation mechanisms of the stellar environment from which they condensed, as well as physical and chemical processes in the interstellar medium (ISM), solar nebula and the parent bodies in which they are found. Consequently, their study can refine our understanding of the solar system and external stellar and planetary systems. However, presolar grains and their records can be altered, re-equilibrated with the surrounding matrix, and eventually lost through aqueous and thermal processing on the meteorite parent body. NanoSIMS is the most rapid and effective method for in situ identification of presolar grains via their highly anomalous isotopic ratios. Previous studies have measured variations in presolar grain populations between different matrix regions within the same meteorite thin section. However, most of these studies do not identify if there are any ties between these variations in presolar grain populations and the chemical and mineralogical differences in measured matrix regions. Therefore, the goal of this study is to determine if there is measurable variations in the degree of alteration of different matrix regions within the same thin section, and if mineralogical and chemical changes in matrix regions can be used as indicators for presolar grain preservation. Such a correlation could improve the efficiency of presolar grain identification during searches across large surface areas. To do this, we carried out coordinated scanning electron microscope (SEM) and NanoSIMS analyses, using a new SEM method which measures the ppm concentration of 100 nm to 5 μm sized Mg-, S-, Al-, C- and Ca-rich matrix grains.

presolar grains↗
NASA NTRS2001

Presolar Grains as Tracers of Nebular Processes

This grant provided two years of funding to investigate the abundances of presolar diamond, SiC, and graphite in primitive chondritic meteorites. The original proposal was for a three-year study, but two years of funding were awarded. The proposed work plan for the first year included preparation of acid residues for two meteorites and noble-gas measurements on those residues and residues of two other meteorites that had been previously prepared. The meteorites to be measured were Acfer 003, Adrar 214, RC075, and Axtell. In the second year, the plan called for measuring Renazzo and Murchison, and beginning chemical processing on another set of meteorites, including Murray, which were to be measured in the third year. All of the meteorites listed above have been measured and the results were presented in three abstracts. The project is continuing under follow-on grants and one of two planned major papers is almost ready for submission.

Huss, Gary R.↗
NASA NTRS1980

Response of the global climate to changes in atmospheric chemical composition due to fossil fuel burning

Recent modeling of atmospheric chemical processes (Logan et al, 1978; Hameed et al, 1979) suggests that tropospheric ozone and methane might significantly increase in the future as the result of increasing anthropogenic emissions of CO, NO(x), and CH4 due to fossil fuel burning. Since O3 and CH4 are both greenhouse gases, increases in their concentrations could augment global warming due to larger future amounts of atmospheric CO2. To test the possible climatic impact of changes in tropospheric chemical composition, a zonal energy-balance climate model has been combined with a vertically averaged tropospheric chemical model. The latter model includes all relevant chemical reactions which affect species derived from H2O, O2, CH4, and NO(x). The climate model correspondingly incorporates changes in the infrared heating of the surface-troposphere system resulting from chemically induced changes in tropospheric ozone and methane. This coupled climate-chemical model indicates that global climate is sensitive to changes in emissions of CO, NO(x) and CH4, and that future increases in these emissions could augment global warming due to increasing atmospheric CO2.

Hameed, S.↗
NASA NTRS1981

Materials processing in space programs tasks

Active research tasks as of the end of fiscal year 1981 of the materials processing in space program, NASA Office of Space and Terrestrial Applications are summarized to provide an overview of the program scope for managers and scientists in industry, university, and government communities. The program, its history, strategy, and overall goal are described the organizational structures and people involved are identified and a list of recent publications is given for each research task. Four categories: Crystal Growth; Solidification of Metals, Alloys, and Composites; Fluids, Transports, and Chemical Processes, and Ultrahigh Vacuum and Containerless Processing Technologies are used to group the tasks. Some tasks are placed in more than one category to insure complete coverage of each category.

Pentecost, E.↗
NASA NTRS1978

Commercial prospects for extraterrestrial materials

Prospects for using lunar resources as materials for spaceborne construction are examined. The use of lunar construction materials is considered economically justifiable in the case of such large scale projects as space power stations (SPS). A proposed scenario for the acquisition and space processing of lunar materials involves the use of space shuttles to deliver an assembly base to earth orbit, where a solar powered mass driver reaction engine rocket is assembled and used to bring sections of a lunar base from low earth orbit to the moon. The rocket would then be positioned at the L2 equilibrium point in order to catch lunar soil propelled into space by a mass driver and bring it to the assembly base for chemical processing. Cost factors would be comparable to those of the terrestrial deployment of the first SPS, and such a project could be in operation before the end of the century.

Criswell, D. R.↗
NASA NTRS2000

The Interstellar Production of Biologically Important Organics

One of the primary tasks of the Astrochemistry Laboratory at Ames Research Center is to use laboratory simulations to study the chemical processes that occur in dense interstellar clouds. Since new stars are formed in these clouds, their materials may be responsible for the delivery of organics to new habitable planets and may play important roles in the origin of life. These clouds are extremely cold (less than 50 kelvin), and most of the volatiles in these clouds are condensed onto dust grains as thin ice mantles. These ices are exposed to cosmic rays and ultraviolet (UV) photons that break chemical bonds and result in the production of complex molecules when the ices are warmed (as they would be when incorporated into a star-forming region). Using cryovacuum systems and UV lamps, this study simulates the conditions of these clouds and studies the resulting chemistry. Some of the areas of progress made in 1999 are described below. It shows some of the types of molecules that may be formed in the interstellar medium. Laboratory simulations have already confirmed that many of these compounds are made under these conditions.

Sandford, Scott A.↗
NASA NTRS1990

Artificial intelligence and design: Opportunities, research problems and directions

The issues of industrial productivity and economic competitiveness are of major significance in the U.S. at present. By advancing the science of design, and by creating a broad computer-based methodology for automating the design of artifacts and of industrial processes, we can attain dramatic improvements in productivity. It is our thesis that developments in computer science, especially in Artificial Intelligence (AI) and in related areas of advanced computing, provide us with a unique opportunity to push beyond the present level of computer aided automation technology and to attain substantial advances in the understanding and mechanization of design processes. To attain these goals, we need to build on top of the present state of AI, and to accelerate research and development in areas that are especially relevant to design problems of realistic complexity. We propose an approach to the special challenges in this area, which combines 'core work' in AI with the development of systems for handling significant design tasks. We discuss the general nature of design problems, the scientific issues involved in studying them with the help of AI approaches, and the methodological/technical issues that one must face in developing AI systems for handling advanced design tasks. Looking at basic work in AI from the perspective of design automation, we identify a number of research problems that need special attention. These include finding solution methods for handling multiple interacting goals, formation problems, problem decompositions, and redesign problems; choosing representations for design problems with emphasis on the concept of a design record; and developing approaches for the acquisition and structuring of domain knowledge with emphasis on finding useful approximations to domain theories. Progress in handling these research problems will have major impact both on our understanding of design processes and their automation, and also on several fundamental questions that are of intrinsic concern to AI. We present examples of current AI work on specific design tasks, and discuss new directions of research, both as extensions of current work and in the context of new design tasks where domain knowledge is either intractable or incomplete. The domains discussed include Digital Circuit Design, Mechanical Design of Rotational Transmissions, Design of Computer Architectures, Marine Design, Aircraft Design, and Design of Chemical Processes and Materials. Work in these domains is significant on technical grounds, and it is also important for economic and policy reasons.

Amarel, Saul↗
NASA NTRS2000

First Detection of Methanol in a Class O Protostellar Disk

We report the detection of emission from methanol in a compact source coincident with the position of the L1157 infrared source, which we attribute to molecules in the disk surrounding this young, Class O protostellar object. In addition, we identify a spectral feature in the outflow corresponding to an ethanol transition. Using the Caltech Owens Valley Millimeter Array with a synthesized beam size of 2", we detect spatially unresolved methanol in the 2(sub k) - 1(sub k) transitions at 3mm, which is coincident in position with the peak of the continuum emission. The gas phase methanol could be located in the central region (< 100 AU radius) of a flat disk, or in an extended heated surface layer (approx. 200 AU radius) of a flared disk. The fractional abundance of methanol X(CH3OH) is approx. 2 x l0(exp -8) in the flat disk model, and 3 x l0(exp -7) for the flared disk. The fractional abundance is small in the disk as a whole, but considerably larger in the warm portions. This difference indicates that substantial chemical processing probably takes place in the disk via depletion and desorption. The methanol desorbed from the grains in the warm surface layers returns to the icy grain mantles in the cooler interior of the disk, where it is available to become part of the composition of solar system-like bodies, such as comets, formed in the outer circumstellar region. This first millimeter-wavelength detection of a complex organic molecule in a young protostellar disk has implications for disk structure and chemical evolution and for potential use as a temperature probe. The research of TV and WL was conducted at the Jet Propulsion Laboratory, California Institute of Technology with support from the National Aeronautics and Space Administration.

Velusamy, T.↗