Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “nitrate”

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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Dynamics of the transition zone in coastal zone color scanner-sensed ocean color in the North Pacific during oceanographic spring

A transition zone in phytoplankton concentration running across the North Pacific basin at 30 deg to 40 deg north latitude corresponds to a basin-wide front in surface chlorophyll observed in a composite of coastal zone color scanner (CZCS) images for May, June, and July 1979-1986. This transition zone with low chlorophyll to the south and higher chlorophyll to the north can be simulated by a simple model of the concentration of phytoplankton, zooplankton, and dissolved nutrient (nitrate) in the surface mixed layer of the ocean applied to the North Pacific basin for the climatological conditions during oceanographic springtime (May, June, and July). The model is initialized with a 1 deg x 1 deg gridded estimate of wintertime (February, March, and April) mixed layer nitrate concentrations calculated from an extensive nutrient database and a similarly gridded mixed layer depth data set. Comparison of model predictions with CZCS data provides a means of evaluating the dynamics of the transition zone. We conclude that in the North Pacific, away from major boundary currents and coastal upwelling zones, wintertime vertical mixing determines the total nutrient available to the plankton ecosystem in the spring. The transition zone seen in basin-scale CZCS images is a reflection of the geographic variation in the wintertime mixed layer depth and the nitracline, leading to a latitudinal gradient in phytoplankton chlorophyll.

Glover, David M.↗
NASA NTRS1993

Transport and residence times of tropospheric aerosols inferred from a global three-dimensional simulation of Pb-210

A global three-dimensional model is used to investigate the transport and tropospheric residence time of Pb-210, an aerosol tracer produced in the atmosphere by radioactive decay of Rn-222 emitted from soils. The model uses meteorological input with 4 deg x 5 deg horizontal resolution and 4-hour temporal resolution from the Goddard Institute for Space Studies general circulation model (GCM). It computes aerosol scavenging by convective precipitation as part of the wet convective mass transport operator in order to capture the coupling between vertical transport and rainout. Scavenging in convective precipitation accounts for 74% of the global Pb-210 sink in the model; scavenging in large-scale precipitation accounts for 12%, and scavenging in dry deposition accounts for 14%. The model captures 63% of the variance of yearly mean Pb-210 concentrations measured at 85 sites around the world with negligible mean bias, lending support to the computation of aerosol scavenging. There are, however, a number of regional and seasonal discrepancies that reflect in part anomalies in GCM precipitation. Computed residence times with respect to deposition for Pb-210 aerosol in the tropospheric column are about 5 days at southern midlatitudes and 10-15 days in the tropics; values at northern midlatitudes vary from about 5 days in winter to 10 days in summer. The residence time of Pb-210 produced in the lowest 0.5 km of atmosphere is on average four times shorter than that of Pb-210 produced in the upper atmosphere. Both model and observations indicate a weaker decrease of Pb-210 concentrations between the continental mixed layer and the free troposphere than is observed for total aerosol concentrations; an explanation is that Rn-222 is transported to high altitudes in wet convective updrafts, while aerosols and soluble precursors of aerosols are scavenged by precipitation in the updrafts. Thus Pb-210 is not simply a tracer of aerosols produced in the continental boundary layer, but also of aerosols derived from insoluble precursors emitted from the surface of continents. One may draw an analogy between Pb-210 and nitrate, whose precursor NO(sub x) is sparingly soluble, and explain in this manner the strong correlation observed between nitrate and Pb-210 concentrations over the oceans.

Balkanski, Yves J.↗
NASA NTRS1997

Evaluation of HAN-TEAN Stabilizers using Microcalorimetry

HAN-TEAN (hydroxylammonium nitrate - triethanolammonium nitrate - in water) is being considered for various propellant applications. This propellant has advantages in terms of insensitivity to impact and fire, low vapor pressure and environmentally benign reaction products. One office concerns with HAN-TEAN is its stability and shelf-life, especially when contaminated with trace metals. Stabilizer systems, consisting of anti-oxidants and/or chealating agents were investigated for their ability to control the decomposition of HAN-TEAN. Isothermal microcalorimetry, an ultrasensitive heat measurement technique, was used to monitor the decomposition of HANTEAN at near ambient temperatures. Isothermal microcalorimetry measures the heat flow from a reaction vessel into a surrounding heat sink. Microcalorimetry is approximately 1,000 times more sensitive than accelerating rate calorimetry (ARC) or differential scanning calorimetry (DSC) for measuring heat flow. Samples of HAN-TEAN containing the stabilizers were spiked with 50 ppm iron and the heat evolution monitored for a period of at least 30 days. Ten stabilizer combinations were tested and the rates of HAN-TEAN decomposition were lowered by 74 to 95 percent in the presence of iron.

Hornung, Steven D.↗
NASA NTRS1997

Analysis of Hydrodynamic (Landau) Instability in Liquid-Propellant Combustion at Normal and Reduced Gravity

The burning of liquid propellants is a fundamental combustion problem that is applicable to various types of propulsion and energetic systems. The deflagration process is often rather complex, with vaporization and pyrolysis occurring at the liquid/gas interface and distributed combustion occurring either in the gas phase or in a spray. Nonetheless, there are realistic limiting cases in which combustion may be approximated by an overall reaction at the liquid/gas interface. In one such limit, the gas flame occurs under near-breakaway conditions, exerting little thermal or hydrodynamic influence on the burning propellant. In another such limit, distributed combustion occurs in an intrusive regime, the reaction zone lying closer to the liquid/gas interface than the length scale of any disturbance of interest. Finally, the liquid propellant may simply undergo exothermic decomposition at the surface without any significant distributed combustion, such as appears to occur in some types of HydroxylAmmonium Nitrate (HAN)-based liquid propellants at low pressures. Such limiting models have recently been formulated,thereby significantly generalizing earlier classical models that were originally introduced to study the hydrodynamic stability of a reactive liquid/gas interface. In all of these investigations, gravity appears explicitly and plays a significant role, along with surface tension, viscosity, and, in the more recent models, certain reaction-rate parameters associated with the pressure and temperature sensitivities of the reaction itself. In particular, these parameters determine the stability of the deflagration with respect to not only classical hydrodynamic disturbances, but also with respect to reactive/diffusive influences as well. Indeed, the inverse Froude number, representing the ratio of buoyant to inertial forces, appears explicitly in all of these models, and consequently, in the dispersion relation that determines the neutral stability boundaries beyond which steady, planar burning is unstable to nonsteady, and/or nonplanar (cellular) modes of burning. These instabilities thus lead to a number of interesting phenomena, such as the sloshing type of waves that have been observed in mixtures of HAN and TriEthanolAmmonium Nitrate (TEAN) with water. Although the Froude number was treated as an O(1) quantity in these studies, the limit of small inverse Froude number corresponding to the microgravity regime is increasingly of interest and can be treated explicitly, leading to various limiting forms of the models, the neutral stability boundaries, and, ultimately, the evolution equations that govern the nonlinear dynamics of the propagating reaction front. In the present work, we formally exploit this limiting parameter regime to compare some of the features of hydrodynamic instability of liquid-propellant combustion at reduced gravity with the same phenomenon at normal gravity.

Margolis, Stephen B.↗
NASA NTRS1998

An Ecosystem Model for the Simulation of Physical and Biological Oceanic Processes-IDAPAK User's Guide and Applications

This TM describes the development, testing, and application of a 4-component (phytoplankton, zooplankton, nitrate, and ammonium) ecosystem model capable of simulating oceanic biological processes. It also reports and documents an in-house software package (Interactive Data Analysis Package - IDAPAK) for interactive data analysis of geophysical fields, including those related to the forcing, verification, and analysis of the ecosystem model. Two regions were studied in the Pacific: the Warm Pool (WP) in the Equatorial Pacific (165 deg. E at the equator) and at Ocean Weather Station P (OWS P) in the Northeast Pacific (50 deg. N, 145 deg. W). The WP results clearly indicate that the upwelling at 100 meters correlates well with surface blooms. The upwelling events in late 1987 and 1990 produced dramatic increases in the surface layer values of all 4 ecosystem components, whereas the spring-summer deep mixing events, do not seem to incur a significant response in any of the ecosystem quantities. The OWS P results show that the monthly profiles of temperature, the annual cycles of solar irradiance, and 0- to 50-m integrated nitrate accurately reproduce observed values. Annual primary production is 190 gC/m(exp 2)/yr, which is consistent with recent observations but is much greater than earlier estimates.

McClain, Charles R.↗
NASA NTRS1998

Locations of Halide Ions in Tetragonal Lysozyme Crystals

Anions play an important role in the crystallization of lysozyme, and are known to bind to the crystalline protein. Previous studies employing X-ray crystallography had found one chloride ion binding site in the tetragonal crystal form of the protein and four nitrate ion binding sites in the monoclinic form. Studies using other approaches have reported more chloride ion binding sites, but their locations were not known. Knowing the precise location of these anions is also useful in determining the correct electrostatic fields surrounding the protein. In the first part of this study the anion positions in the tetragonal form were determined from the difference Fourier map obtained from the lysozyme crystals grown in bromide and chloride solutions under identical conditions. The anion locations were then obtained from standard crystallographic methods and five possible anion binding sites were found in this manner. The sole chloride ion binding site found in previous studies was confirmed. The remaining four sites were new ones for tetragonal lysozyme crystals. However, three of these new sites and the previously found one corresponded to the four unique binding sites found for nitrate ions in monoclinic crystals. This suggests that most of the anion binding sites in lysozyme remain unchanged, even when different anions and different crystal forms of lysozyme are employed. It is unlikely that there are many more anions in the tetragonal lysozyme crystal structure. Assuming osmotic equilibrium it can be shown that there are at most three more anions in the crystal channels. Some of the new anion binding sites found in this study were, as expected, in pockets containing basic residues. However, some of them were near neutral, but polar, residues. Thus, the study also showed the importance of uncharged, but polar groups, on the protein surface in determining its electrostatic field. This was important for the second part of this study where the electrostatic field surrounding the protein was accurately determined. This was achieved by solving the linearized version of the Poisson-Boltzmann equation for the protein in solution. The solution was computed employing the commercial code Delphi which uses a finite difference technique. This has recently become available as a module in the general protein visualization code Insight II. Partial charges were assigned to the polar groups of lysozyme for the calculations done here. The calculations showed the complexity of the electrostatic field surrounding the protein. Although most of the region near the protein surface had a positive field strength, the active site cleft was negatively charged and this was projected a considerable distance. This might explain the occurrence of "head-to-side" interactions in the formation of lysozyme aggregates in solution. Pockets of high positive field strength were also found in the vicinity of the anion locations obtained from the crystallographic part of this study, confirming the validity of these calculations. This study clearly shows not only the importance of determining the counterion locations in protein crystals and the electrostatic fields surrounding the protein, but also the advantage of performing them together.

Lim, Kap↗
NASA NTRS1998

A Simulation of Biological Prosesses in the Equatorial Pacific Warm Pool at 165 deg E

A nine-year simulation (1984-1992) of biological processes in the equatorial Pacific Warm Pool is presented. A modified version of the 4-component (phytoplankton, zooplankton, nitrate and ammonium) ecosystem model by McClain et al. (1996) is used. Modifications include use of a spectral model for computation of PAR and inclusion of fecal pellet remineralization and ammonium nitrification. The physical parameters (horizontal and vertical velocities and temperature) required by the ecosystem model were derived from an improved version of the Gent and Cane (1990) ocean general circulation model (Murtugudde and Busalacchi, 1997). Surface downwelling spectral irradiance was estimated using the clear-sky models of Frouin et al. (1989) and Gregg and Carder (1990) and cloud cover information from the International Satellite Cloud Climatology Project (ISCCP). The simulations indicate considerable variability on interannual time scales in all four ecosystem components. In particular, surface chlorophyll concentrations varied by an order of magnitude with maximum values exceeding 0.30 mg/cu m in 1988, 1989, and 1990, and pronounced minimums during 1987 and 1992. The deep chlorophyll maximum ranged between 75 and 125 meters with values occasionally exceeding 0.40 mg/cu m. With the exception of the last half of 1988, surface nitrate was always near depletion. Ammonium exhibited a subsurface maximum just below the DCM with concentrations as high as 0.5 mg-atN/cu m . Total integrated annual primary production varied between 40 and 250 gC/sq m/yr with an annual average of 140 gC/sq m/yr. Finally, the model is used to estimate the mean irradiance at the base of the mixed layer, i.e., the penetration irradiance, which was 18 Watts/sq m over the nine year period. The average mixed layer depth was 42 m.

McClain, Charles R.↗
NASA NTRS1997

Evaluation of an Anaerobic Digestion System for Processing CELSS Crop Residues for Resource Recovery

Three bioreactors, connected in series, were used to process CELSS potato residues for recovery of resources. The first stage was an anaerobic digestor (8 L working volume; cow rumen contents inoculum; fed-batch; 8 day retention time; feed rate 25 gdw/day) that converted 33% of feed (dry weight loss) to CO2 and "volatile fatty acids" (vfa, 83:8:8 mmolar ratio acetic:propionic:butyric). High nitrate-N in the potato residue feed was absent in the anaerobic effluent, with a high portion converted to NH4(+)-N and the remainder unaccounted and probably lost to denitrification and NH4(+) volatilization. Liquid anaerobic effluent was fed to an aerobic, yeast biomass production vessel (2 L volume; Candida ingens inoculum; batch [pellicle] growth; 2 day retention time) where the VFAs and some NH4(+)-N were converted into yeast biomass. Yeast yields accounted for up to 8% of potato residue fed into the anaerobic bioreactor. The third bioreactor (0.5 L liquid working volume; commercial nitrifier inoculum; packed-bed biofilm; continuous yeast effluent feed; recirculating; constant volume; 2 day hydraulic retention time) was used to convert successfully the remaining NH4(+)-N into nitrate-N (preferred form of N for CELSS crop production) and to remove the remaining degradable soluble organic carbon. Effluents from the last two stages were used for partial replenishment of minerals for hydroponic potato production.

Strayer, R. F.↗
NASA NTRS1997

Effect of Elevated Carbon Dioxide on Nutritional Quality of Tomato

Tomato (Lycopersicon esculentum Mill.) cvs. Red Robin (RR) and Reimann Philipp (RP) were grown hydroponically for 105 d with a 12 h photoperiod, 26 C/22 C thermoperiod, and 500 micromol/ sq m/s PPF at either 400, 1200, 5000, or 10,000 micromol/mol (0.04, 0.12, 0.50, 1.00 kPa) CO2. Harvested fruits were analyzed for proximate composition, total dietary fiber, nitrate, and elemental composition. No trends were apparent with regard to CO2 effects on proximate composition, with fruit from all treatments and both cultivars averiging 18.9 % protein, 3.6 % fat, 10.2 % ash, and 67.2 % carbohydrate. In comparison, average values for field-grown fruit are 16.6 % protein, 3.8 % fat, 8.1 % ash, and 71.5 % carbohydrate (Duke and Atchely, 1986). Total dietary fiber was highest at 10,000 micromol/mol (28.4 % and 22.6 % for RR and RP) and lowest at 1000 micromol/mol (18.2 % and 15.9 % for RR and RP), but showed no overall trend in response to CO2. Nitrate values ranged from 0.19 % to 0.35 % and showed no trend with regard to CO2. K, Mg, and P concentrations showed no trend in response to CO2, but Ca levels increased from 198 and 956 ppm in RR and RP at 400 micromol/mol, to 2537 and 2825 ppm at 10,000 micromol/mol. This increase in Ca caused an increase in fruit Ca/P ratios from 0.07 and 0.37 for RR and RP at 400 micromol/molto 0.99 and 1.23 for RR and RP at 10,000 micromol/mol suggesting that more dietary Ca should be available from high CO2-grown fruit.

Wheeler, R. M.↗
NASA NTRS1994

Preparation and Dielectric Measurements of the Rare Earth Green Phases R2BaCuO(5-x) (R = Y, Sm, Gd, Dy, Ho, Er, Yb)

It has been demonstrated that R2BaCuO(5-x) (R = Y, Sm, Gd, Dy, Ho, Er, Yb) does not undergo significant densification unless the sintering temperatures are near the incongruent melting point or the sintering times are long. Good quality powders of Y2BaCuO(5-x) have been synthesized by using oxide raw materials or precursors such as acetates and nitrates. The acetates- and the nitrates-derived yttrium green phase resulted in finer particle sizes, acceptable dielectric properties and lower melting temperatures than those processed via oxide raw materials. The hot pressing technique has been employed to produce a dense R2BaCuO(5-x) (R=Y,Gd) substrate with satisfactory dielectric properties. Reactivity to reducing conditions, i.e. graphite die, limited the optimization of the properties. A high sensitivity to the annealing atmosphere has been demonstrated in Y2BaCuO,.,,. Oxygen treatment at 950 OC has been shown to improve the dielectric properties while treatment in nitrogen, at the same temperature, degraded desirable properties. A high sensitivity to the annealing atmosphere has been demonstrated in Y2BaCuO(5-x). Oxygen treatment at 950 C has been shown to improve the dielectric properties while treatment in nitrogen, at the same temperature, degraded desirable properties. The dielectric constants of the rare earth green phases R2BaCuO(5-x) were found to be low. Relaxation peaks were detected at low temperatures (T less than 150 K) and at high temperatures (150 less than T greater than 420 K). The dielectric losses and conductivities at 77 K were measured to be in the range of 10(exp -4) and 10(exp -12) (Omega-cm)(exp -1), respectively. Many parameters were found to exhibit dependencies on the rare earth cation sizes.

Gonzalez-Titman, Carlos↗
NASA NTRS1999

Measurements of Nitric Acid and Aerosol Species Aboard the NASA DC-8 Aircraft During the SASS Ozone and Nitrogen Oxide Experiment (SONEX)

The SASS Ozone and Nitrogen Oxides Experiment (SONEX) over the North Atlantic during October/November 1997 offered an excellent opportunity to examine the budget of total reactive nitrogen (NO(sub y)) in the upper troposphere (8 - 12 km altitude). The median measured NO(sub y) mixing ratio was 425 parts per trillion by volume (pptv). Two different methods were used to measure HNO3: (1) the mist chamber technique and, (2) chemical ionization mass spectrometry. Two merged data sets using these HNO3 measurements were used to calculate NO(sub y) by summing the reactive nitrogen species (a combination of measured plus modeled results) and comparing the resultant values to measured NO(sub y) (gold catalytic reduction method). Both comparisons showed good agreement in the two quantities (slope > 0.9 and r(exp 2) > 0.9). Thus, the total reactive nitrogen budget in the upper troposphere over the North Atlantic can be explained in a general manner as a simple mixture of NO(sub x). (NO + NO2), HNO3, and PAN. Median values of NO(sub x)/NO(sub y) were approximately equal to 0.25, HNO3/NO(sub y) were approximately equal to 0.35 and Peroxyacetyl Nitrate (PAN)/NO(sub y) were approximately equal to 0. 17. Particulate NO3 and alkyl nitrates together composed <10 % of NO(sub y), while model estimated HNO4 averaged 12%.

Talbot, Robert W.↗
NASA NTRS1998

Develop Recovery Systems for Separations of Salts from Process Streams for use in Advanced Life Support System

The main objectives of this project were the development of a four-compartment electrolytic cell using high selective membranes to remove nitrate from crop residue leachate and convert it to nitric acid, and the development of an six compartment electrodialysis cell to remove selectively sodium from urine wastes. The recovery of both plant inedible biomass and human wastes nutrients to sustain a biomass production system are important aspects in the development of a controlled ecological life support system (CELSS) to provide the basic human needs required for life support during long term space missions. A four-compartment electrolytic cell has been proposed to remove selectively nitrate from crop residue and to convert it to nitric acid, which is actually used in the NASA-KSC Controlled Ecological Life Support System to control the pH of the aerobic bioreactors and biomass production chamber. Human activities in a closed system require large amount of air, water and minerals to sustain life and also generate wastes. Before using human wastes as nutrients, these must be treated to reduce organic content and to remove some minerals which have adverse effects on plant growth. Of all the minerals present in human urine, sodium chloride (NACl) is the only one that can not be used as nutrient for most plants. Human activities also requires sodium chloride as part of the diet. Therefore, technology to remove and recover sodium chloride from wastes is highly desirable. A six-compartment electrodialysis cell using high selective membranes has been proposed to remove and recover NaCl from human urine.

Colon, Guillermo↗
NASA NTRS1998

Locations of Bromide Ions in Tetragonal Lysozyme Crystals

Anions have been shown to play a dominant role in the crystallization of chicken egg-white lysozyme from salt solutions. Previous studies employing X-ray crystallography have found one chloride ion binding site in the tetragonal crystal form of the protein and four nitrate ion binding sites in the monoclinic form. In this study the anion positions in the tetragonal form were determined from the difference Fourier map obtained from lysozyme crystals grown in bromide and chloride solutions. Five possible anion-binding sites were found in this manner. Some of these sites were in pockets containing basic residues while others were near neutral, but polar, residues. The sole chloride ion binding site found in previous studies was confirmed, while four further sites were found which corresponded to the four binding sites found for nitrate ions in monoclinic crystals. The study suggests that most of the anion-binding sites in lysozyme remain unchanged even when different anions and different crystal forms of lysozyme are employed.

Lim, Kap↗
NASA NTRS1999

Seasonal Distributions of Global Ocean Chlorophyll and Nutrients: Analysis with a Coupled Ocean General Circulation Biogeochemical, and Radiative Model

A coupled general ocean circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. The model is driven by climatological meteorological conditions, cloud cover, and sea surface temperature. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability, and the interactions among three functional phytoplankton groups (diatoms, chorophytes, and picoplankton) and three nutrient groups (nitrate, ammonium, and silicate). Phytoplankton groups are initialized as homogeneous fields horizontally and vertically, and allowed to distribute themselves according to the prevailing conditions. Basin-scale model chlorophyll results are in very good agreement with CZCS pigments in virtually every global region. Seasonal variability observed in the CZCS is also well represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are also in good conformance, although occasional departures are apparent. Agreement of nitrate distributions with in situ data is even better, including seasonal dynamics, except for the equatorial Atlantic. The good agreement of the model with satellite and in situ data sources indicates that the model dynamics realistically simulate phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization, and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.

Gregg, Watson W.↗
NASA NTRS1998

Location of Bromide Ions in Tetragonal Lysozyme Crystals

Anions have been shown to play a dominant role in the crystallization of chicken egg white lysozyme from salt solutions. Previous studies employing X-ray crystallography had found one chloride ion binding site in the tetragonal crystal form of the protein and four nitrate ion binding sites in the monoclinic form. In this study the anion positions in the tetragonal form were determined from the difference Fourier map obtained from lysozyme crystal grown in bromide and chloride solutions. Five possible anion binding sites were found in this manner. Some of these sites were in pockets containing basic residues while others were near neutral, but polar, residues. The sole chloride ion binding site found in previous studies was confirmed, while four of these sites corresponded to four binding sites found for nitrate ions in monoclinic crystals. The study suggests that most of the anion binding sites in lysozyme remain unchanged, even when different anions and different crystal forms of lysozyme are employed.

Lim, Kap↗
NASA NTRS1995

A Coupled-Cluster Study of the Molecular Structure, Vibrational Spectrum, and Heats of Formation of XONO2 (X=H, F, Cl)

The equilibrium structures, harmonic vibrational frequencies, dipole moments, and IR intensities of nitric acid, fluorine nitrate, and chlorine nitrate have been investigated by using the singles and doubles coupled cluster method that also includes a perturbational estimate of the effects of connected triple excitations, CCSD(T). A standard triple-zeta double-polarized basis set was utilized. The equilibrium geometries and vibrational spectra of HONO2 and ClONO2 are shown to be in excellent agreement with the available experimental data. The ab initio vibrational spectrum of FONO2 is also shown to be in excellent agreement with experiment. Unlike the FOOF and FON molecules, but similar to the cis- and trans-FONO molecules, FONO2 is shown to possess normal bond distances. The bonding in FONO2 is shown to be more similar to that in ClONO2 than that in HONO2, although there are still significant differences, especially in the partial atomic charges as deduced from Mulliken populations. This causes FONO2 to possess almost no dipole moment, which is very different to both HONO2 and ClONO2. By using large atomic natural orbital basis sets, CCSD(T) energies are computed for four isodesmic reactions in order to determine an accurate heat of formation for FONO2. Our best estimate for DELTA H(raised circle) (sub f,298) is 3.1 plus or minus 2.0 kcal/mol, indicating that the F-ONO2 bond energy is 31.3 kcal/mol.

Lee, Timothy J.↗
NASA NTRS2000

Role of Vibration-Induced Streaming in Float-Zone Crystal Growth

This presentation will examine in detail the role of vibration-induced streaming flow in the context of float-zone crystal growth. It is very well known that during float-zone materials processing, the naturally occurring temperature gradients along the zone surface impose a thermocapillary flow in the zone. Under certain processing conditions, the thermocapillary flow can also become nonsteady (oscillatory). The presence of thermocapillary flow is detrimental to crystal quality, for it can promote non-uniform dopant distribution and crystal striations. To null this effect we have imposed a counter streaming flow in the zone, via end-wall vibration. This technique has been adapted to float-zone processing of Sodium Nitrate-Barium Nitrate eutectic alloys, under both steady and nonsteady thermocapillary flow conditions. The beneficial effects of counter streaming flow have been clearly brought out through the before and after comparisons of the crystal microstructure. In addition, we are also examining the theoretical underpinnings of the balancing of thermocapillary flows with vibration-driven counter flows in float-zones.

Anilkumar, A. V.↗
NASA NTRS2000

A Coupled Ocean General Circulation, Biogeochemical, and Radiative Model of the Global Oceans: Seasonal Distributions of Ocean Chlorophyll and Nutrients

A coupled ocean general circulation, biogeochemical, and radiative model was constructed to evaluate and understand the nature of seasonal variability of chlorophyll and nutrients in the global oceans. Biogeochemical processes in the model are determined from the influences of circulation and turbulence dynamics, irradiance availability. and the interactions among three functional phytoplankton groups (diatoms. chlorophytes, and picoplankton) and three nutrients (nitrate, ammonium, and silicate). Basin scale (greater than 1000 km) model chlorophyll results are in overall agreement with CZCS pigments in many global regions. Seasonal variability observed in the CZCS is also represented in the model. Synoptic scale (100-1000 km) comparisons of imagery are generally in conformance although occasional departures are apparent. Model nitrate distributions agree with in situ data, including seasonal dynamics, except for the equatorial Atlantic. The overall agreement of the model with satellite and in situ data sources indicates that the model dynamics offer a reasonably realistic simulation of phytoplankton and nutrient dynamics on synoptic scales. This is especially true given that initial conditions are homogenous chlorophyll fields. The success of the model in producing a reasonable representation of chlorophyll and nutrient distributions and seasonal variability in the global oceans is attributed to the application of a generalized, processes-driven approach as opposed to regional parameterization and the existence of multiple phytoplankton groups with different physiological and physical properties. These factors enable the model to simultaneously represent many aspects of the great diversity of physical, biological, chemical, and radiative environments encountered in the global oceans.

Gregg, Watson W.↗