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

Vacancy formation and extraction energies in semiconductor compounds and alloys

A model for calculating the extraction energies and vacancy-formation energies in diamond-cubic and zinc-blende semiconductors is developed on the basis of Harrison's (1980, 1983) tight-binding theory. The extraction energies provide a reference from which other final states of the removed atoms can be calculated. The results of calculations show that, in a given compound, the calculated extraction energies are larger for the anion than for the cation, with the difference between the cation and the anion being larger in the II-VI than in the III-V compounds. This is in agreement with experimental results.

Berding, M. A.↗
NASA NTRS1992

The ultraviolet and visible spectrum of the polycyclic aromatic hydrocarbon C10H8(+) - Possible contributions to the diffuse interstellar bands and to the ultraviolet-visible extinction

The properties of the cation of the PAH naphthalene (C10H8(+)) isolated in inert gas matrices under conditions relevant to astrophysical environments are described. The band at 6741 A is the strongest and falls close to the weak 6742 A diffuse interstellar bands (DIBs). Five other weaker bands also fall remarkably close to the positions of known DIBs. A very intense and broad continuum extended from the UV to the visible, which seems to be associated with the ion, is reported. The molar absorption coefficient at the peak of the continuum is 2.0 x 10 exp 6 cu dm/mol cm. If a continuum is a general property of PAH cations, this characteristic will have a strong impact on the understanding of how PAHs convert interstellar UV and visible radiation into IR radiation.

Salama, F.↗
NASA NTRS1993

Laboratory evidence for ionized polycyclic aromatic hydrocarbons in the interstellar medium

The infrared absorption from neutrals and cations of four PAHs - naphthalene, anthracene, pyrene, and perylene - integrated over the spectral regions corresponding to the interstellar bands are compared with astronomical observations. It is found that the interstellar bands cannot be explained solely on the basis of neutral PAH species, but that cations must be a significant, and in some cases dominant, component.

Szczepanski, Jan↗
NASA NTRS1993

Physiological water model development

The water of the human body can be categorized as existing in two main compartments: intracellular water and extracellular water. The intracellular water consists of all the water within the cells and constitutes over half of the total body water. Since red blood cells are surrounded by plasma, and all other cells are surrounded by interstitial fluid, the intracellular compartment has been subdivided to represent these two cell types. The extracellular water, which includes all of the fluid outside of the cells, can be further subdivided into compartments which represent the interstitial fluid, circulating blood plasma, lymph, and transcellular water. The interstitial fluid surrounds cells outside of the vascular system whereas plasma is contained within the blood vessels. Avascular tissues such as dense connective tissue and cartilage contain interstitial water which slowly equilibrates with tracers used to determine extracellular fluid volume. For this reason, additional compartments are sometimes used to represent these avascular tissues. The average size of each compartment, in terms of percent body weight, has been determined for adult males and females. These compartments and the forces which cause flow between them are presented. The kidneys, a main compartment, receive about 25 percent of the cardiac output and filters out a fluid similar to plasma. The composition of this filtered fluid changes as it flows through the kidney tubules since compounds are continually being secreted and reabsorbed. Through this mechanism, the kidneys eliminate wastes while conserving body water, electrolytes, and metabolites. Since sodium accounts for over 90 percent of the cations in the extracellular fluid, and the number of cations is balanced by the number of anions, considering the renal handling sodium and water only should sufficiently describe the relationship between the plasma compartment and kidneys. A kidney function model is presented which has been adapted from a previous model of normal renal function in man. To test the validity of the proposed kidney model, results predicted by the model will be compared to actual data involving injected or ingested fluids and subsequent urine flow rates. Comparison of the model simulation to actual data following the ingestion of 1 liter of water is shown. The model simulation is also shown with actual data following the intravenous infusion of hypertonic saline.

Doty, Susan↗
NASA NTRS1994

A new material for removing heavy metals from water

The NASA Lewis Research Center developed and is patenting a new high capacity ion exchange material (IEM) that removes toxic metals from contaminated water in laboratory tests. The IEM can be made into many forms, such as thin films, coatings, pellets, and fibers. As a result, it can be adapted to many applications to purify contaminated water wherever it is found, be it in waste water treatment systems, lakes, ponds, industrial plants, or in homes. Laboratory tests have been conducted on aqueous solutions containing only one of the following metal cations: lead, copper, mercury, cadmium, silver, chromium (III), nickel, zinc, and yttrium. Tests were also conducted with: (1) calcium present to determine its effects on the uptake of cadmium and copper, and (2) uranium and lanthanides which are stand-ins for other radioactive elements, (3) drinking water for the removal of copper and lead, and (3) others compositions. The results revealed that the IEM removes all these cations, even in the presence of the calcium. Of particular interest are the results of the tests with the drinking water: the lead concentration was reduced from 142 ppb down to 2.8 ppb (well below the accepted EPA standard).

Philipp, Warren H., Jr.↗
NASA NTRS1994

Quantum chemistry and excited states: First investigations on pyrene-like molecules

Although the calculations are expected to be accurate within 10%, it follows then that there cannot be proposed unquestionable one-to-one attribution due to the density of the DIB's (Diffuse Interstellar Bands). Nevertheless, it has been shown that if one is interested in the experimental study of methyl-pyrene cations, for example, then, the most promising candidate is the 1-methyl isomer: this isomer has been investigated by d'Hendecourt and Leger (1993,1994) and their spectrum shows very striking features in very good agreement with both our calculations and a few DIB's. However, 1-methyl-pyrene cation is not the only product susceptible of being formed in this experiment, and further investigations are in progress to give a complete interpretations of the results. This preliminary report on pyrene-like molecules illustrates the role that theoretical calculations can ply in both the design and the interpretation of experiments.

Parisel, Olivier↗
NASA NTRS1994

Structure of 4-methylpyridinium Hydrogen Sulfide

4-Methylpyridinium hydrogen sulfide, (C6H7NH)HS, M(sub r) = 127.21, consists of C6H7NH(+) cations and HS(-) anions. Z = 2 for the crystal with monoclinic space group Cm (#8), dimensions of a = 8.679(2) A, b = 7.964(1) A, and c = 4.860(2) A, an angle beta of 101.10(2) degrees, and a volume of V = 329.6(3) A(exp 3). R = 0.039 and R(sub w) = 0.048 for 385 reflections with F(sub o)(exp 2) greater than 3 sigma(F(sub o)(exp 2)) and 59 variables. Both the C6H7NH(+) cation and the HS(-) anion lie on crystallographic mirror planes with the N,S, two carbon atoms, and two hydrogen atoms positioned in the planes. The hydrogen atom of the HS(-) anion was not located.

Andras, Maria T.↗
NASA NTRS1993

Neutral and ionized polycyclic aromatic hydrocarbons, diffuse interstellar bands and the ultraviolet extinction curve

Neutral naphthalene C10H8, phenanthrene C14H10 and pyrene C16H10 absorb strongly in the ultraviolet region and may contribute to the extinction curve. High abundances are required to produce detectable structures. The cations of these polycyclic aromatic hydrocarbons (PAHs) absorb in the visible C10H8(+) has 13 discrete absorption bands which fall between 6800 and 4500 A. The strongest band at 6741 A falls close to the weak 6742 A diffuse interstellar band (DIB). Five other weaker bands also match DIBs. The possibility that C10H8(+) is responsible for some of the DIBs can be tested by searching for new DIBs at 6520 and 6151 A, other strong naphthalene cation band positions. If C10H8(+) is indeed responsible for the 6742 A feature, it accounts for 0.3% of the cosmic carbon. The spectrum of C16H10(+) is dominated by a strong band at 4435 A in an Ar matrix and 4395 A in Ne, wavelengths which fall very close to the strongest DIB at 4430 A. If C16H10(+) or a closely related pyrene-like ion, is indeed responsible for the 4430 A feature, it accounts for 0.2% of the cosmic carbon. An intense, very broad UV-to-visible continuum is reported which is associated with both ions and could explain how PAHs convert interstellar UV and visible radiation into IR radiation.

Salama, Farid↗
NASA NTRS1995

Polycyclic aromatic hydrocarbon ions and the diffuse interstellar bands

Neutral naphthalene (C10H8), phenanthrene (C14H10), and pyrene (C16H10) absorb strongly in the ultraviolet and may contribute to the extinction curve. High abundances are required to produce detectable structures. The cations of these Polycyclic Aromatic Hydrocarbons (PAHs) absorb in the visible. C10H8(+) has 12 discrete absorption bands which fall between 6800 and 5000 A. The strongest band at 6741 A falls close to the weak 6742 A diffuse interstellar band (DIB). Five other weaker bands also match DIBs. The possibility that C10H8(+) is responsible for some of the DIBs can be tested by searching for new DIBS at 6520, 6151, and 5965 A, other moderately strong naphthalene cation band positions. If C10H8(+) is indeed responsible for the 6742 A feature, it accounts for 0.3% of the cosmic carbon. The spectrum of C16H10(+) is dominated by a strong band at 4435 A in an Ar matrix and 4395 A in a Ne matrix, a position which falls very close to the strongest DIB, that at 4430 A. If C16H10(+), or a closely related pyrene-like ion is indeed responsible for the 4430 A feature, it accounts for 0.2% of the cosmic carbon. We also report an intense, very broad UV-to-visible continuum which is associated with both ions and could explain how PAHs convert interstellar UV and visible radiation into IR.

Salama, F.↗
NASA NTRS1993

Critical review of electrical conductivity measurements and charge distribution analysis of magnesium oxide

The electrical conductivity sigma of MgO single crystals shows a sharp increase at 500-800 C, in particular of sigma surface, generally attributed to surface contamination. Charge Distribution Analysis (CDA), a new technique providing information on fundamental properties that was previously unavailable, allows for the determination of surface charges, their sign and associated internal electric field. Data on 99.99% purity, arc-fusion grown MgO crystals show that mobile charge carriers start to appear in the bulk of the MgO crystals between 200 and 400 C when sigma (measured by conventional techniques) is in t he 10(exp -14) to 10(exp -16) /omega/cm range. Above 500 C, as sigma increases to 10(exp -6) to 10(exp -7)/omega/cm, more charges appear giving rise to a strong positive surface charge supported by a strong internal field. This indicates that charges are generated in the bulk and diffuse to the surface by an internally controlled process. On the basis of their positive sign they are identified as holes (defect electrons). Because of the low cation content of these very pure MgO crystals, theses holes cannnot be associated with transition metal impurties. Instead, they are associated with the O(2-) sublattice, e.g. consist of O(-) states or positive holes. This conclusion is supported by magnetic susceptibility data showing the appearance of 1000 +/- 500 ppm paramagnetic species between 200-500 C. The magnetic data are consistent with strongly coupled, diamagnetic O(-) pairs below 200-500 C, chemically equivalent to peroxy anions, O2(2-), and probably associated with cation vacancies in the MgO matrix. The formation of O2(2-) in arc-fusion grown MgO crystals is very unexpected because of the highly reducing growth conditions. Their presence implies an internal redox reaction involving dissolved 'water' by which OH(-) pairs convert to O2(2-) plus H2 molecules. This redox conversion is supported by mass spectroscopic measurements of the H2 release from highly OH(-)-doped, finely divided MgO and by wet-chemical analysis of its oxidant concentration.

Freund, Friedemann↗
NASA NTRS1995

Material Removes Heavy Metal Ions From Water

New high capacity ion-exchange polymer material removes toxic metal cations from contaminated water. Offers several advantages. High sensitivities for such heavy metals as lead, cadmium, and copper and capable of reducing concentrations in aqueous solutions to parts-per-billion range. Removes cations even when calcium present. Material made into variety of forms, such as thin films, coatings, pellets, and fibers. As result, adapted to many applications to purify contaminated water, usually hard wherever found, whether in wastewater-treatment systems, lakes, ponds, industrial plants, or homes. Another important feature that adsorbed metals easily reclaimed by either destructive or nondestructive process. Other tests show ion-exchange polymer made inexpensively; easy to use; strong, flexible, not easily torn; and chemically stable in storage, in aqueous solutions, and in acidic or basic solution.

Philipp, Warren H., Jr.↗
NASA NTRS1995

The oxygen content of the high-temperature superconducting compound Bi(2+x)Sr(3-y)CayCu2O(8+d) with respect to varying Ca and Bi contents

The oxygen content of Bi(2+x)Sr(3-y)Cu2O(8+d) (2212 phase) has been determined as a function of its cation concentration. With increasing Ca and Bi content the oxygen content increases and T(sub c) decreases. The oxygen content of Ca rich 2212 phase increases with decreasing annealing temperatures. The study shows that the T(sub c) of the 2212 phase primarily is controlled by its cation concentration.

Majewski, P.↗
NASA NTRS1995

Active synthetic soil

A synthetic soil/fertilizer for horticultural application having all the agronutrients essential for plant growth is disclosed. The soil comprises a synthetic apatite fertilizer having sulfur, magnesium, and micronutrients dispersed in a calcium phosphate matrix, a zeolite cation exchange medium saturated with a charge of potassium and nitrogen cations, and an optional pH buffer. Moisture dissolves the apatite and mobilizes the nutrient elements from the apatite matrix and the zeolite charge sites.

Ming, Douglas W.↗
NASA NTRS1995

Association reactions at low pressure. 5: The CH3(+)/HCN system. A final word?

The reaction of the methyl cation with hydrogen cyanide is revisited. We have confidence that we have resolved a long standing apparent contradiction of experimental results. A literature history is presented along with one new experiment and a re-examination of an old experiment. In this present work it is shown that all of the previous studies had made consistent observations. Yet, each of the previous studies failed to observe all of the information present. The methyl cation does react with HCN by radiative association, a fact which had been in doubt. The product ions formed in the two-body and three-body processes react differently with HCN. The collisionally stabilized association product formed by a three-body mechanism, does not react with HCN and is readily detected in the experiments. The radiatively stabilized association product, formed by a slow two-body reaction, is not detected because it reacts with HCN by a fast proton transfer reaction forming the protonated HCN ion. Previous studies either 'lost' this product in the extremely large protonated HCN signal that is always present when HCN is used, or discounted it for various reasons. We have been able to show by ion cyclotron resonance (ICR) techniques (both FT-ICR and tandem ICR-dempster-ICR) that the radiative association product does react with the HCN to form the protonated HCN ion.

Anicich, Vincent G.↗
NASA NTRS1994

Native Defect Related Optical Properties of ZnGeP2

We present photoluminescence, photoconductivity, and optical absorption spectra for ZnGeP2 crystals grown from the melt by gradient freezing and from the vapor phase by high pressure physical vapor transport (HPVT). A model of donor and acceptor related subbands in the energy gap of ZnGeP2 is introduced that explains the experimental results. The emission with peak position at 1.2 eV is attributed to residual disorder on the cation sublattice. The lower absorption upon annealing is interpreted in terms of both the reduction of the disorder on the cation sublattice and changes in the Fermi level position. The n-type conductivity of ZnGeP2 Crystals grown under Ge-deficient conditions by the HPVT is related to the presence of additional donor states.

Dietz, N.↗
NASA NTRS1998

Rubidium-Strontium Formation Age of Allan Hills 84001 Carbonates

Our preferred age for the formation of carbonates in the martian meteorite ALH 84001 is 3.90 plus or minus 0.04 Ga for Lambda (Rubidium 87) equals 0.01402 Ga (exp -1), or 3.85 plus or minus 0.04 Ga for Lambda (Rubidium 87) = 0.0142 Ga(exponent -1). This age is determined by a three-point Rb-Sr isochron defined by leachates of high-graded carbonate-rich material. Major cation and especially phosphorous analyses of the leachates permit contributions from igneous whitlockite to be recognized for low-acidity leachates, and the corresponding data are omitted from the isochron. Data for the two highest acidity leachates plot close to the preferred isochron, but are omitted because we believe they contain contributions leached from the pyroxene substrate on which most of the carbonates are found. Nevertheless, the isochron age for all five highest-acidity leachates is 3.94 plus or minus 0.04 Ga, and is within error of the age obtained for the more restricted data set. All leachates used to define the isochron have major cation compositions that are singular to those obtained by microprobe analyses of the carbonate rosettes and are consistent with progressive digestion of the carbonates according to their composition. The age thus obtained for the carbonates is about 600 m.y. younger than the crystalization age of ALH 84001 determined by Sm-Nd analyses but is within error limits of the age of impact metamorphism inferred from the Rb-Sr and Ar-Ar systematics of silicates. which yield ages of 3.85 plus or minus 0.05 Ga and 4.05- 3.80 Ga to 4.3-3.8 Ga, respectively. Similarities between the carbonate crystallization age and the age of impact metamorphism as determined by Ar-Ar and Rb-Sr suggest that the carbonate formation is impact-related. Nevertheless, both high and low- temperature scenarios for the origin of the carbonates are possible.

Borg, L. E.↗
NASA NTRS1999

Experimental Studies of Mars-Analog Brines

Evaporite deposits may represent significant sinks of mobile cations (e.g., those of Ca, N, Mg, and Fe) and anions (e.g., those of C, N, S, and Cl) among the materials composing the Martian surface and upper crust. Carbon and nitrogen are especially interesting because of their role as atmospheric gases which can become incorporated into crustal rocks. However, the nature of evaporite precursor brines formed under Martian conditions is poorly understood. To date, only a very limited number of laboratory investigations have been reported which have any bearing on a better understanding of various processes related to brine or evaporite formation on Mars. Here we report on preliminary laboratory experiments that exposed igneous minerals analogous to those in Martian (Shergottites, Nakhlites, and Chassigny (SNC) group) meteorites to a simulated Martian atmosphere and pure, deoxygenated water. Analysis of the water over intervals of time approaching 1 year showed that atmospheric gases dissolved to form carbonate and nitrate ions while minerals dissolved to form sulfate and chloride along with various cations. On an annual basis, ion formation gave a carbonate/sulfate ratio that is comparable to the ratio found among salts in SNC meteorites. The sulfate/chloride ratio of the experimental brines is higher than in SNC meteorites but lower than in surface soils measured at the Viking and Pathfinder landing sites.

Moore, Jeffrey M.↗
NASA NTRS2000

Preparation and Analysis of RNA Crystals

The crystallization of RiboNucleic Acids (RNA) was studied from the standpoint of mechanisms of crystal growth in three tasks: (1) preparation of high-quality crystals of oligonuclotides for X-ray diffraction, (2) finding pathways to the growth of high-quality crystals for X-ray diffraction and (3) investigation of mechanisms of action of inertial acceleration on crystal growth. In these tasks: (1) RNA crystals were prepared and studied by X-ray diffraction; (2) a pathway to high-quality crystals was discovered and characterized; a combination of kinetic and equilibrium factors could be optimized as described below; and (3) an interplay between purity and gravity was found in a combination of space and ground experiments with nucleic acids and proteins. Most significantly, the rate of concentration of precipitant and RNA can be controlled by membrane-based methods of water removal or by diffusion of multivalent cations across an interface stabilized by a membrane. Oligonucleotide solutions are electrokinetically stabilized colloids, and crystals can form by the controlled addition of multivalent cations.

Todd, Paul↗