Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Conditional diffusion models”

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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Fluid Management of and Flame Spread Across Liquid Pools

The goal of our research on flame spread across pools of liquid fuel remains the quantitative identification of the mechanisms that control the rate and nature of flame spread when the initial temperature of the liquid pool is below the fuel's flash point temperature. As described in, four microgravity (mu-g) sounding rocket flights examined the effect of forced opposed airflow over a 2.5 cm deep x 2 cm wide x 30 cm long pool of 1-butanol. Among many unexpected findings, it was observed that the flame spread is much slower and steadier than in 1g where flame spread has a pulsating character. Our numerical model, restricted to two dimensions, had predicted faster, pulsating flame spread in mu-g. In a test designed to achieve a more 2-D experiment, our investigation of a shallow, wide pool (2 mm deep x 78 mm wide x 30 cm long) was unsuccessful in mu-g, due to an unexpectedly long time required to fill the tray. As such, the most recent Spread Across Liquids (SAL) sounding rocket experiment had two principal objectives: 1) determine if pulsating flame spread in deep fuel trays would occur under the conditions that a state-of-the-art computational combustion code and short-duration drop tower tests predict; and 2) determine if a long, rectangular, shallow fuel tray could achieve a visibly flat liquid surface across the whole tray without spillage in the mu-g time allotted. If the second objective was met, the shallow tray was to be ignited to determine the nature of flame spread in mu-g for this geometry. For the first time in the experiment series, two fuel trays - one deep (30 cm long x 2 cm wide x 25 mm deep) and one shallow (same length and width, but 2 mm deep)-- were flown. By doing two independent experiments in a single flight, a significant cost savings was realized. In parallel, the computational objective was to modify the code to improve agreement with earlier results. This last objective was achieved by modifying the fuel mass diffusivity and adding a parameter to correct for radiative and lateral heat loss.

Ross, H. D.↗
NASA NTRS2000

Is it Possible to have the Similar Unit Cell in Crystals of Different form from the same Macromolecule? (A Case Study of Ribosome Crystals)

Three different types of ribosome crystals were grown by the vapor diffusion technique in hanging drops as described in (1,2). The ribosome is a large asymmetric RNA-protein complex (2.3 million Da), which is protein syntheses machinery of the cell. In this poster we would like to discuss the features of ribosome crystallization. Ribosomes were purified from the thermophilic bacteria Thermus thermophilus by centrifugation (3). Three types of crystals (needle, flat tetragonal and tetragonal-like pyramid) can be grown from the same solution; furthermore, in the same drop using 10-15% 2-methyl-2,4- pentanediol as a precipitant. The crystals appeared in 5-48 hours. The crystals were stable and can co-exist in solution over long period of time. The kinetics of appearance of different crystal forms was different: first the needle crystals were grown, then the tetragonal, and finally the tetragonal pyramids. Later studies of the process of ribosome crystal growth depending on supersaturation showed that low supersaturation results in the appearance of tetragonal plates or tetragonal-like pyramids. An electron microscopy study, together with computer modeling, has shown that crystals of different forms have a high probability of having the same unit cell parameters. According to these experiments the following conclusion can be dranvn: the level of supersaturation of the macromolecule in a crystallizing solution is one of the major factors for forming three-dimensional crystals convenient for X-rays diffraction analysis. From the same macromolecule solution, crystals of different forms can be grown at approximately the same conditions by varying the concentration of macromolecule in the solution. Ion-macromolecule and water-macromolecule interactions, apparently, play the main role in the formation of the unit cell of the crystals.

Karpova, E. A.↗
NASA NTRS1990

One-dimensional cloud fluid model for propagating star formation

The aim of this project was to study the propagation of star formation (SF) with a self-consistent deterministic model for the interstellar gas. The questions of under what conditions does star formation propagate in this model and what are the mechanisms of the propagation are explored. Here, researchers used the deterministic Oort-type cloud fluid model of Scalo and Struck-Marcell (1984, also see the review of Struck-Marcell, Scalo and Appleton 1987). This cloud fluid approach includes simple models for the effects of cloud collisional coalescence or disruption, collisional energy dissipation, and cloud disruption and acceleration as the result of young star winds, HII regions and supernovae. An extensive one-zone parameter study is presented in Struck-Marcell and Scalo (1987). To answer the questions above, researchers carried out one-dimensional calculations for an annulus within a galactic disk, like the so-called solar neighborhood of the galactic chemical evolution. In the calculations the left-hand boundary is set equal to the right hand boundary. The calculation is obviously idealized; however, it is computationally convenient to study the first order effects of propagating star formation. The annulus was treated as if it were at rest, i.e., in the local rotating frame. This assumption may remove some interesting effects of a supersonic gas flow, but was necessary to maintain a numerical stability in the annulus. The results on the one-dimensional propagation of SF in the Oort cloud fluid model follow: (1) SF is propagated by means of hydrodynamic waves, which can be generated by external forces or by the pressure generated by local bursts. SF is not effectively propagated via diffusion or variation in cloud interaction rates without corresponding density and velocity changes. (2) The propagation and long-range effects of SF depend on how close the gas density is to the critical threshold value, i.e., on the susceptibility of the medium.

Titus, Timothy N.↗
NASA NTRS2002

Tetragonal Lysozyme Nucleation and Crystal Growth: The Role of the Solution Phase

Lysozyme, and most particularly the tetragonal form of the protein, has become the default standard protein for use in macromolecule crystal nucleation and growth studies. There is a substantial body of experimental evidence, from this and other laboratories, that strongly suggests this proteins crystal nucleation and growth is by addition of associated species that are preformed by standard reversible concentration-driven self association processes in the bulk solution. The evidence includes high resolution AFM studies of the surface packing and of growth unit size at incorporation, fluorescence resonance energy transfer measurements of intermolecular distances in dilute solution, dialysis kinetics, and modeling of the growth rate data. We have developed a selfassociation model for the proteins crystal nucleation and growth. The model accounts for the obtained crystal symmetry, explains the observed surface structures, and shows the importance of the symmetry obtained by self-association in solution to the process as a whole. Further, it indicates that nucleation and crystal growth are not distinct mechanistically, but identical, with the primary difference being the probability that the particle will continue to grow or dissolve. This model also offers a possible mechanism for fluid flow effects on the growth process and how microgravity may affect it. While a single lysozyme molecule is relatively small (M.W. = 14,400), a structured octamer in the 4(sub 3) helix configuration (the proposed average sized growth unit) would have a M.W. = 115,000 and dimensions of 5.6 x 5.6 x 7.6 nm. Direct AFM measurements of growth unit incorporation indicate that units as wide as 11.2 nm and as long as 11.4 nm commonly attach to the crystal. These measurements were made at approximately saturation conditions, and they reflect the sizes of species that both added or desorbed from the crystal surface. The larger and less isotropic the associated species the more likely that it will be oriented to some degree in a flowing boundary layer, even at the low flow velocities measured about macromolecule crystals. Flow-driven effects resulting in misorientation upon addition to and incorporation into the crystal need only be a small fraction of a percentage to significantly affect the resulting crystal. One Earth, concentration gradient driven flow will maintain a high interfacial concentration, i.e., a high level (essentially that of the bulk solution) of solute association at the interface and higher growth rate. Higher growth rates mean an increased probability that misaligned growth units are trapped by subsequent growth layers before they can be desorbed and try again, or that the desorbing species will be smaller than the adsorbing species. In microgravity the extended diffusive boundary layer will lower the interfacial concentration. This results in a net dissociation of aggregated species that diffuse in from the bulk solution, i.e., smaller associated species, which are more likely able to make multiple attempts to correctly bind, yielding higher quality crystals.

Pusey, Marc L.↗
NASA NTRS1999

Control of Meridional Flow in Circular Cylinders by a Travelling Axial Magnetic Field

Convective flow in a Bridgman or float zone configuration significantly affects the interface shape and segregation phenomena. While the primary causative factor for this flow is buoyancy induced convection in an enclosed Bridgman melt, the presence of a free surface gives rise to surface tension driven flows in the floating zone processing of melts. It is of interest to curtail these flows in order to realize near quiescent growth conditions that have shown to result in crystals with good longitudinal and radial homogeneity and thereby of better overall quality. While buoyancy effects can be reduced by careful processing in a low gravity (space) environment, the reduction of Marangoni flows due to surface tension variations is not that straight forward. Attempts have been made with some limited success with the use of external fields to affect the melt thermo-fluid behavior. The use of a static magnetic field that reduces convective contamination through the effects of a non-intrusively induced, dissipative Lorentz force in an electrically conducting melt is one such approach. Experiments have shown that axial fields of the order of 5 Tesla can significantly eliminate convection and yield close to diffusion limited crystal growth conditions. The generation and use of such high magnetic fields require substantial hardware and incur significant costs for its operation. Lately, the use of rotating magnetic fields has been tested in semiconductor crystal growth. The method is fairly well known and commonly used in metal processing but its adaptation to crystal growth of semiconductors is fairly recent. The elegance of the technique rests in its low power requirement (typically 10-20 milli-Tesla at 50-400 Hz) and its efficacy in curtailing deleterious temperature fluctuations in the melt. A rotating magnetic field imposes a rotational force and thereby induces a circulation within the melt that tends to dominate other sporadic convective effects. Thus a known low level of convective flow is introduced into the system. A new novel variation of the Lorentz force mechanism is proposed and investigated in this study. Since one of the desired process conditions in melt crystal growth is the minimization of convective effects, this investigation examines the use of an external field of magnetic origin to counteract existing convective flow within the melt. This is accomplished by utilizing a running or traveling axial magnetic wave in the system. The concept is similar to the use of vibrational means in order to induce streaming flows that oppose buoyant or surface tension driven convection in the system. The rotation direction as well as the magnitude (strength) of this circulation can be easily controlled by external inputs thus affording a direct means of controlling the developing shape of the crystallizing front (interface). The theoretical model of this technique is fully developed and presented in this paper. Results from the solution of the developed governing equations and boundary conditions are also presented. An experimental demonstration of the concept is presented through the suppression of natural convective flow in a mercury column. Implications to crystal growth systems will be fully explored in the final manuscript.

Mazuruk, K.↗
NASA NTRS2000

Convective Melting of Particles in Flow Under Microgravity Conditions

Study of melting of dispersed or packed solid particles in a fluid under gravity and microgravity conditions provides benchmark information for many engineering applications such as material processing, environmental assessment and protection and space fire protection. During such processes, packed or dispersed solid particles are interacting with fluid flow at above-melting temperatures. By unmasking the buoyancy effects in coupled flow, phase change and heat transport phenomena, a better understanding of melting rate in non-thermal equilibrium, convective conditions can be studied. A series of flight experiments were conducted onboard the NASA KC-135 Microgravity Research Airplane. The Particle Melting in Plow (PMF) module was designed to allow flow through the initially packed ice particles at controlled temperature and velocity. To achieve this, a close-loop flow system was designed. Video images were taken to record the visualization of the melting process, from which a time variation of packed particle thickness distribution at different times can be obtained by the image analysis method. The fluid temperature distribution within the melting zone is measured by thermocouples. An infrared camera was mounted from the top of the test section to record the ice-water thermal images at a given location. The results from thermal images yield local temperature variation between melting solid and liquid and local Stephan number. Typical results for a number of cases are presented. The mathematical model, describing mass, energy, and momentum balance equations for the liquid and solid phases, is presented. It is found that melting rate is influenced mainly by the ratio of Reynolds number (based on the initial particle diameter) to the Froud number, and Stephan number. At the absence of gravity, Froud number approaches zero, Reynolds number and Stephan number become dominant factors governing the melting rate. The numerically determined results are compared with the experimental ones. It is found that the discrepancy between the predicted and measured melting rate is largely due to the inaccuracy in the constitutive equations for effective thermal physical properties, such as effective thermal conductivity and diffusivity, and transport properties, such as particle interaction coefficient, and local heat transfer coefficient of particles.

Stewart, C.↗
NASA NTRS1994

Theoretical Basis for Estimated Test Times and Conditions for Drop Tower and Space-Based Droplet Burning Experiments With Methanol and N-Heptane

In order to develop an extensive envelope of test conditions for NASA's space-based Droplet Combustion Experiment (DCE) as well those droplet experiments which can be performed using a drop tower, the transient vaporization and combustion of methanol and n-heptane droplets were simulated using a recently developed fully time-dependent, spherically symmetric droplet combustion model. The transient vaporization of methanol and n-heptane was modeled to characterize the instantaneous gas phase composition surrounding the droplet prior to the introduction of an ignition source. The results for methanol/air showed that the entire gas phase surrounding a 2 mm methanol droplet deployed in zero-g .quickly falls outside the lean flammability limit. The gas phase surrounding an identically-sized n-heptane droplet, on the other hand, remains flammable. The combustion of methanol was then modeled considering a detailed gas phase chemical kinetic mechanism (168 steps, 26 species) and the effect of the dissolution of flame-generated water into the liquid droplet. These results were used to determine the critical ignition diameter required to achieve quasi-steady droplet combustion in a given oxidizing environment. For droplet diameters greater than the critical ignition diameter, the model predicted a finite diameter at which the flame would extinguish. These extinction diameters were found to vary significantly with initial droplet diameter. This phenomenon appears to be unique to the transient heat transfer, mass transfer and chemical kinetics of the system and thus has not been reported elsewhere to date. The extinction diameter was also shown to vary significantly with the liquid phase Lewis number since the amount of water present in the droplet at extinction is largely governed by the rate at which water is transported into the droplet via mass diffusion. Finally, the numerical results for n-heptane combustion were obtained using both 2 step and 96 step semi-emperical chemical kinetic mechanisms. Neither mechanism exhibited the variation of extinction diameter with initial diameter.

Marchese, Anthony J.↗
NASA NTRS2004

Higher-Order Finite Elements for Computing Thermal Radiation

Two variants of the finite-element method have been developed for use in computational simulations of radiative transfers of heat among diffuse gray surfaces. Both variants involve the use of higher-order finite elements, across which temperatures and radiative quantities are assumed to vary according to certain approximations. In this and other applications, higher-order finite elements are used to increase (relative to classical finite elements, which are assumed to be isothermal) the accuracies of final numerical results without having to refine computational meshes excessively and thereby incur excessive computation times. One of the variants is termed the radiation sub-element (RSE) method, which, itself, is subject to a number of variations. This is the simplest and most straightforward approach to representation of spatially variable surface radiation. Any computer code that, heretofore, could model surface-to-surface radiation can incorporate the RSE method without major modifications. In the basic form of the RSE method, each finite element selected for use in computing radiative heat transfer is considered to be a parent element and is divided into sub-elements for the purpose of solving the surface-to-surface radiation-exchange problem. The sub-elements are then treated as classical finite elements; that is, they are assumed to be isothermal, and their view factors and absorbed heat fluxes are calculated accordingly. The heat fluxes absorbed by the sub-elements are then transferred back to the parent element to obtain a radiative heat flux that varies spatially across the parent element. Variants of the RSE method involve the use of polynomials to interpolate and/or extrapolate to approximate spatial variations of physical quantities. The other variant of the finite-element method is termed the integration method (IM). Unlike in the RSE methods, the parent finite elements are not subdivided into smaller elements, and neither isothermality nor other unrealistic physical conditions are assumed. Instead, the equations of radiative heat transfer are integrated numerically over the parent finite elements by use of a computationally efficient Gaussian integration scheme.

Gould, Dana C.↗
NASA NTRS1994

The photoelectric heating mechanism for very small graphitic grains and polycyclic aromatic hydrocarbons

We have theoretically modeled the gas heating associated with the photoelectric ejection of electrons from a size distribution of interstellar carbon grains which extends into the molecular domain. We have considered a wide range of physical conditions for the interstellar gas (1 less than G(sub 0) less than 10(exp 5), with G(sub 0) being the intensity of the incident far-UV field in units of the Habing interstellar radiation field; 2.5 x 10( exp -3) less than n(sub e) less than 75/cu cm, with n(sub e) being the electron density; 10 less than T less than 10,000 K, with T being the gas temperature). The results show that about half of the heating is due to grains less than 1500 C atoms (less than 15 A). The other half originates in somewhat larger grains (1500-4.5 x 10(exp 5) C atoms; 15 less than 100 A). While grains larger than this do absorb about half of the available far-UV photons, they do not contribute appreciably to the gas heating. This strong dependence of gas heating on size results from the decrease in yield and from the increased grain charge (hence larger Coulomb losses) with increasing grain size. We have determined the net photoelectric heating rate and evaluated a simple analytical expression for the heating efficiency, dependent only on G(sub 0), T, and n(sub e). This expression is accurate to 3% over the whole parameter range and is valid up to gas temperatures of 10(exp 4) K, at which point the dominant gas-dust heat exchange mechanism becomes the recombination of electrons with grains rather than photoelectric ejection. The calculated heating efficiency for neutral grains is in good agreement with that derived from observations of the diffuse interstellar clouds. Our results also agree well with the Far Infrared Absolute Spectrometer (FIRAS) observations on the Cosmic Background Explorer Satellite. Finally, our photoelectric heating efficiency is compared to previous studies.

Bakes, E. L. O.↗
NASA NTRS1993

CFD Parametric Study of Consortium Impeller

Current design of high performance turbopumps for rocket engines requires effective and robust analytical tools to provide design impact in a productive manner. The main goal of this study is to develop a robust and effective computational fluid dynamics (CFD) pump model for general turbopump design and analysis applications. A Finite Difference Navier-Stokes flow solver, FDNS, which includes the extended k-epsilon turbulence model and appropriate moving interface boundary conditions, was developed to analyze turbulent flows in turbomachinery devices. A second-order central difference scheme plus adaptive dissipation terms was employed in the FDNS code, along with a predictor plus multi-corrector pressure-based solution procedure. The multi-zone, multi-block capability allows the FDNS code to efficiently solve flow fields with complicated geometry. The FDNS code has been benchmarked by analyzing the pump consortium inducer, and it provided satisfactory results. In the present study, a CFD parametric study of the pump consortium impeller was conducted using the FDNS code. The pump consortium impeller, with partial blades, is a new design concept of the advanced rocket engines. The parametric study was to analyze the baseline design of the consortium impeller and its modification which utilizes TANDEM blades. In the present study, the TANDEM blade configuration of the consortium impeller considers cut full blades for about one quarter chord length from the leading edge and clocks the leading edge portion with an angle of 7.5 or 22.5 degrees. The purpose of the present study is to investigate the effect and trend of the TANDEM blade modification and provide the result as a design guideline. A 3-D flow analysis, with a 103 x 23 x 30 mesh grid system and with the inlet flow conditions measured by Rocketdyne, was performed for the baseline consortium impeller. The numerical result shows that the mass flow rate splits through various blade passages are relatively uniform. Due to the complexity of blade geometries, the TANDEM blade configurations were analyzed with the multi-zone grid structure. Both the 7.5 deg- and the 22.5 deg-clocking TANDEM blade cases utilized a 80K mesh system. The numerical result of two TANDEM blade modifications indicates the efficiency and the head are worse than those of the baseline case due to larger flow distortion. The gap between the TANDEM blade and the full blade allows the flow passes through and heavily loads the pressure side of the partial blade such that flow reversal occurs near the suction side of the splitter. The flow split at the exit of impeller blades is very non-uniform for TANDEM blade cases, and this will greatly induce the side load on the diffuser. Therefore, the TANDEM blade modification in the present CFD analysis does not improve the performance of the consortium impeller.

Cheng, Gary C.↗
NASA NTRS1999

A Study of Direct and Cloud-Mediated Radiative Forcing of Climate Due to Aerosols

The Intergovernmental Panel on Climate Change (IPCC) has reported that in the southeastern US and eastern China, the general greenhouse warming due to anthropogenic gaseous emissions is dominated by the cooling effect of anthropogenic aerosols. To verify this model prediction in eastern China and southeastern US, we analyzed regional patterns of climate changes at 72 stations in eastern China during 1951- 94 (44 years), and at 52 stations in the southeastern US during 1949-94 (46 years) to detect the fingerprint of aerosol radiative forcing. It was found that the mean rates of change of annual mean daily, maximum, minimum temperatures and diurnal temperature range (DTR) in eastern China were 0.8, -0.2, 1.8, and -2.0 C/100 years respectively, while the mean rates of change of annual mean daily, maximum, minimum temperatures and DTR in the southeastern US were -0.2, -0.6, 0.2, and -0.8 C/100 years, respectively. This indicates that the high rate of increase in annual mean minimum temperature in eastern China results in a slightly warming trend of daily temperature, while the high rate of decrease in annual mean maximum temperature and low rate of increase in annual mean minimum temperature lead to the cooling trend of daily temperature in the southeastern US. We found that the warming from the longwave forcing due to both greenhouse gases and aerosols was completely counteracted by the shortwave aerosol forcing in the southeastern US in the past 46 years. A slightly overall warming trend in eastern China is evident; winters have become milder. This finding is explained by hypothesizing that increasing energy usage during the past 44 years has resulted in more coal and biomass burning, thus increasing the emission of absorbing soot and organic aerosols in eastern China. Such emissions, in addition to well-known Asia dust and greenhouse gases, may be responsible for the winter warming trend in eastern China that we have reported here. The sensitivity of aerosol radiative properties to aerosol composition, size distribution, relative humidity (RH) is examined for the following aerosol systems: inorganic and organic ions (Cl-, Br-, NO3 -, SO4 2-, Na+, NH4 +, K+, Ca2+, Mg2+, HCOO-, CH3COO-, CH3CH2COO-, CH3COCOO-, OOCCOO2-, MSA-1); water-insoluble inorganic and organic compounds (elemental carbon, n-alkanes, SiO2, Al2O3, Fe2O3 and other organic compounds). The partial molar refraction method was used to calculate the real part of the refractive index. It was found that the asymmetry factor increased by approximately 48% with the real part varying from 1.40 to 1.65, and the single scattering albedo decreased by 24% with the imaginary part varying from -0.005 to -0.1. The asymmetry factor increased by 5.4 times with the geometric standard deviation varying from 1.2 to 3.0. The radiation transmission is very sensitive to the change in size distribution; other factors are not as significant. To determine the aerosol direct radiative forcing (ADRF), the aerosol optical depth (AOD) values at the three operational wavelengths (415, 500 and 673 nm) were determined at a regionally representative site, namely, Mt. Gibbs (35.78 deg N, 82.29 deg W, elevation 2006 m) in Mt. Mitchell State Park, NC, and a site located in an adjacent valley (Black Mountain, 35.66 deg N, 82.38 deg W, elevation 951 m) in the southeastern US. The two sites are separated horizontally by 10 km and vertically by 1 km. It was found that the representative total AOD values at 500 nm at the valley site for highly polluted (HP), marine (M) and continental (C) air masses were 0.68 +/- 0.33, 0.29 +/- 0.19 and 0.10 +/- 0.04, respectively. A search-graph method was used to retrieve the columnar size distribution (number concentration N, effective radius reff and geometric standard deviation=?g) from the optical depth observations at three operational wavelengths. The ground albedo, single scattering albedo and imaginary part of the refractive index were calculated using a mathematically unique procedure involving a Mie code and a radiative transfer code in conjunction with the retrieved aerosol size distribution, AOD, and diffuse-direct irradiance ratio. It was found that N, r(eff) and sigma(g) were in the ranges of 10 to 1.7 x 10(exp 4)/cubic cm, 0.09 to 0.68 micrometers and 1.12 to 2.95, respectively. The asymmetry factor and single scattering albedo were in the ranges of 0.63 to 0.75 and 0.74 to 0.97 respectively. The ground albedo for the forested terrain and imaginary part of refractive index were found to be in the ranges of 0.06 to 0.29 and 0.005 to 0.051 respectively. On the basis of these aerosol radiative properties obtained at the research sites and computations using the Column Radiation Model (CRM) of National Center of Atmospheric Research (NCAR) Community Climate Model (CCM3), it was found that the average cloud-free 24-hour ADRF values were -13 +/- 8, -8 +/- 3, -33 +/- 16 W/square m for marine, continental, and polluted air masses, respectively. On the assumption that the fractional coverage of clouds is 0.61, it was estimated that the annual mean ADRF was 7 +/- 2 W/square m in the southeastern US. The review with respect to the current knowledge of organic acids shows that aerosol formate and acetate concentrations range from 0.02 to 5.3 nmol/cubic m and from 0.03 to 12.4 nmol/cubic m respectively, and that between 34% to 77% of formate and between 21% to 66% of acetate are present in the fine fraction of aerosols. It was found that although most (98-99%) of these volatile organic acids were present in the gas phase, their concentrations in the aerosol particles were sufficient to make them a good candidate for cloud condensation nuclei (CCN). It is hypothesized that organic acids are at least one of the primary sources of CCN in the atmosphere due to their ubiquitous presence in the troposphere, especially over the continental forested areas. The results of our measurements at Palmer Station, Antarctica show that the daily average CCN concentrations at 0.3% and 1% supersaturations ranged from 0.3 to 160/cubic cm and from 4 to 168/cubic cm, respectively, during the period from 17 January to 26 February, 1994. New evidence for substantial and definitive CCN enhancement near and within cloud has been observed at Mt. Mitchell, North Carolina. The results show that the average monthly CCN concentrations were 460 +/- 217, 386 +/- 286, 429 +/- 228 and 238 +/- 134/cubic cm for in-cloud, overcast, clear and rainy conditions, respectively. The typical CCN spectra show that there were a lot of small CCN produced and the ion concentrations (especially H+ and SO4 2-) were very high during the CCN enhancement period. The significantly positive correlation between black carbon (BC) and CCN at 1% supersaturation indicates that a percentage of the BC measured at the site may be in the form of an internal mixture and participated in the formation of CCN.

Yu, Shao-Cai↗
NASA NTRS2004

Computational and Experimental Study of Energetic Materials in a Counterflow Microgravity Environment

Counterflow diffusion flames are studied for various fuels flowing against decomposition products from solid ammonium perchlorate (AP) pellets in order to obtain fundamental understanding of composite propellant flame structure and chemistry. We illustrate this approach through a combined experimental and numerical study of a fuel mixture consisting of C2H4 CO + H2, and C2H2 + C2H4 flowing against solid AP. For these particular AP-fuel systems, the resulting flame zone simulates the various flame structures that are ex+ to exist between reaction products from Ap crystals and a hydrocarbon binder. As in all our experimental studies, quantitative species and temperature profiles have been measured between the fuel exit and AP surface. Species measured included CN, NH, NO, OH, N2, CO2, CO, H2, CO, HCl, and H2O. Temperature was measured using a thermocouple at the exit, spontaneous Raman scattering measurements throughout the flame, OH rotational population distributions, and NO vibrational population distributions. The burning rate of AP was also measured as a function of strain rate, given by the separation distance between the AP surface and the gaseous hydrocarbon fuel tube exit plane. This distance was nominally set at 5 mm, although studies have been performed for variations in separation distance. The measured 12 scalars are compared with predictions from a detailed gas-phase kinetics model consisting of 86 species and 531 reactions. Model predictions are found to be in good agreement with experiment and illustrate the type of kinetic features that may be expected to occur in propellants when AP particle size distributions are varied. Furthermore, the results constitute the continued development of a necessary database and validation of a comprehensive model for studying more complex AP-solid fuel systems in microgravity. Exploratory studies have also been performed with liquid and solid fuels at normal gravity. Because of melting (and hence dripping) and deep thermal wave penetration into the liquid, these experiments were found feasible, but not used for obtaining quantitative data. Microgravity experiments are needed to eliminate the dripping and boiling phenomena of these systems at normal gravity. Microgravity tests in the NASA Glenn 2.2 second drop tower were performed (1) to demonstrate the feasibility of performing propellant experiments using the NASA Glenn microgravity facilities, (2) to develop the operational procedures for safe handing of the energetic materials and disposal of their toxic combustion by-products and (3) to obtain initial measurements of the AP burning rate and flame structure under microgravity conditions. Experiments were conducted on the CH4/AP system previously studied at normal gravity using a modified design of the counterflow burner and a NASA Glenn Pig Rig, i.e., one of the existing drop rigs for general-purpose usage. In these experiments, the AP burning rate was measured directly with a linear variable differential transducer (LVDT) and video imaging of the flame structure was recorded ignition was achieved by hot wires stretched across the AP surfaces. Initial drop tower combustion data show that with the same burner separation distance and flow conditions of the normal gravity experiments, the AP burning rate is approximately a factor of two lower. This difference is likely a result of radiation effects, but further tests with longer test times need to be conducted to verify that steady state conditions were achieved under microgravity conditions.

Takahashi, Fumiaki↗
NASA NTRS2001

Numerical Simulation of an Enclosed Laminar Jet Diffusion Flame in Microgravity Environment: Comparison with ELF Data

Enclosed diffusion flames are commonly found in practical combustion systems, such as the power-plant combustor, gas turbine combustor, and jet engine after-burner. In these systems, fuel is injected into a duct with a co-flowing or cross-flowing air stream. The diffusion flame is found at the surface where the fuel jet and oxygen meet, react, and consume each other. In combustors, this flame is anchored at the burner (i.e., fuel jet inlet) unless adverse conditions cause the flame to lift off or blow out. Investigations of burner stability study the lift off, reattachment, and blow out of the flame. Flame stability is strongly dependent on the fuel jet velocity. When the fuel jet velocity is sufficiently low, the diffusion flame anchors at the burner rim. When the fuel jet velocity is increased, the flame base gradually moves downstream. However, when the fuel jet velocity increases beyond a critical value, the flame base abruptly jumps downstream. When this "jump" occurs, the flame is said to have reached its lift-off condition and the critical fuel jet velocity is called the lift-off velocity. While lifted, the flame is not attached to the burner and it appears to float in mid-air. Flow conditions are such that the flame cannot be maintained at the burner rim despite the presence of both fuel and oxygen. When the fuel jet velocity is further increased, the flame will eventually extinguish at its blowout condition. In contrast, if the fuel jet velocity of a lifted flame is reduced, the flame base moves upstream and abruptly returns to anchor at the burner rim. The fuel jet velocity at reattachment can be much lower than that at lift off, illustrating the hysteresis effect present in flame stability. Although there have been numerous studies of flame stability, the controlling mechanisms are not well understood. This uncertainty is described by Pitts in his review of various competing theories of lift off and blow out in turbulent jet diffusion flames. There has been some research on the stability of laminar flames, but most studies have focused on turbulent flames. It is also well known that the airflow around the fuel jet can significantly alter the lift off, reattachment and blow out of the jet diffusion flame. Buoyant convection is sufficiently strong in 1-g flames that it can dominate the flow-field, even at the burner rim. In normal-gravity testing, it is very difficult to delineate the effects of the forced airflow from those of the buoyancy-induced flow. Comparison of normal-gravity and microgravity flames provides clear indication of the influence of forced and buoyant flows on the flame stability. The overall goal of the Enclosed Laminar Flames (ELF) investigation (STS-87/USMP-4 Space Shuttle mission, November to December 1997) is to improve our understanding of the effects of buoyant convection on the structure and stability of co-flow diffusion flame, e.g., see http://zeta.lerc.nasa.gov/expr/elf.htm. The ELF hardware meets the experiment hardware limit of the 35-liter interior volume of the glovebox working area, and the 180x220-mm dimensions of the main door. The ELF experiment module is a miniature, fan-driven wind tunnel, equipped with a gas supply system. A 1.5-mm diameter nozzle is located on the duct's flow axis. The cross section of the duct is nominally a 76-mm square with rounded corners. The forced air velocity can be varied from about 0.2 to 0.9 m/s. The fuel flow can be set as high as 3 std. cubic centimeter (cc) per second, which corresponds to a nozzle exit velocity of up to 1.70 m/s. The ELF hardware and experimental procedure are discussed in detail in Brooker et al. The 1-g test results are repeated in several experiments following the STS-87 Mission. The ELF study is also relevant to practical systems because the momentum-dominated behavior of turbulent flames can be achieved in laminar flames in microgravity. The specific objectives of this paper are to evaluate the use reduced model for simulation of flame lift-off and blowout.

Jia, Kezhong↗
NASA NTRS1999

Investigation of Sooting in Microgravity Droplet Combustion: Fuel-Dependent Effects

Kumagai and coworkers first performed microgravity droplet combustion experiments [Kumagai, 1957]. The primary goal of these early experiments were to validate simple 'd(sup 2)-law models [Spalding, 1954, Godsave, 1954] Inherent in the 'd(sup 2) -law' formulation and in the scope of the experimental observation is the neglect of sooting behavior. In fact, the influence of sooting has not received much attention until more recent works [Choi et al., 1990; Jackson et al., 1991; Jackson and Avedisian, 1994; Choi and Lee, 1996; Jackson and Avedisian, 1996; Lee et al., 1998]:. Choi and Lee measured soot volume fraction for microgravity droplet flames using full-field light extinction and subsequent tomographic inversion [Choi and Lee, 1996]. In this investigation, soot concentrations were measured for heptane droplets and it was reported that soot concentrations were considerably higher in microgravity compared to the normal gravity flame. It was reasoned that the absence of buoyancy and the effects of thermophoresis resulted in the higher soot concentrations. Lee et al. [1998] performed soot measurement experiments by varying the initial droplet diameter and found marked influence of sooting on the droplet burning behavior. There is growing sentiment that sooting in droplet combustion must no longer be neglected and that "perhaps one of the most important outstanding contributions of (micro)g droplet combustion is the observation that in the absence of asymmetrical forced and natural convection, a soot shell is formed between the droplet surface and the flame, exerting an influence on the droplet combustion response far greater than previously recognized." [Law and Faeth, 1994]. One of the methods that we are exploring to control the degree of sooting in microgravity is to use different fuels. The effect of fuel structure on sooting propensity has been investigated for over-ventilated concentric coflowing buoyant diffusion flames. (Glassman, 1996]. In these investigations, the fuel flowrate was increased until smoke was observed to escape from the "luminous visible flame" [Glassman, 1996]. A total of 29 fuels were used in order to characterize relative sooting propensity. The sooting propensity of a particular fuel was assessed by comparing the flowrates for soot emission from the tip of the flame. It was reported that the sooting tendency for diffusion flames increased for fuels with higher rates of pyrolysis. Randolph and Law [1986 and not 1994] also examined the effect of fuel structure on droplet sooting behavior. In their experiments the droplets were separated from the bulk gas stream and quenched with nitrogen prior to gravimetric measurements. A variety of fuels were studied, namely aromatics, phenyl-alkanes and alkanes. The results were in qualitative agreement with the work of Glassman [1986]. Vander Wal et al. [1994] performed relative soot concentration measurements using laser-induced incandescence for heptane and decane fuel droplets burning under normal-gravity conditions. It was found that soot volume fractions for decane was more than a factor of two larger than that for heptane. Although the normal-gravity investigations have provided some important insights regarding the influence of fuel structure on the sooting behavior of droplet flames, results cannot be easily extrapolated for microgravity studies since increased residence times and thermophoretic effects must be considered in greater detail. Several studies have compared sooting behavior of different fuel droplets burning under microgravity conditions [Card and Choi, 1990; Jackson et al., 1991; Jackson and Avedisian, 1994], however, detailed quantitative results were not provided. In all of these previous studies, the degree of sooting was only visually assessed from an incandescent backlighted image of the soot containing region. Such techniques can provide misleading results regarding sooting behavior [Choi, 1996].

Manzello, Samuel L.↗
NASA NTRS1994

H2O-H2SO4 system in Venus' clouds and OCS, CO, and H2SO4 profiles in Venus' troposphere

A coupled problem of diffusion and condensation is solved for the H2SO4-H2O system in Venus' cloud layer. The position of the lower cloud boundary and profiles of the H2O and H2SO4 vapor mixing ratios and of the H2O/H2SO4 ratio of sulfuric acid aerosol and its flux are calculated as functions of the column photochemical production rate of sulfuric acid, Phi(sub H2SO4). Variations of the lower cloud boundary are considered. Our basic model, which is constrained to yield f(sub H2O) (30 km) = 30 ppm (Pollack et al. 1993), predicts the position of the lower cloud boundary at 48.4 km coinciding with the mean Pioneer Venus value, the peak H2SO4 mixing ratio of 5.4 ppm, and the H2SO4 production rate Phi(sub H2SO4) = 2.2 x 10(exp 12)/sq cm/s. The sulfur to sulfuric acid mass flux ratio in the clouds is 1:27 in this model, and the mass loading ratio may be larger than this value if sulfur particles are smaller than those of sulfuric acid. The model suggests that the extinction coefficient of sulfuric acid particles with radius 3.7 micrometers (mode 3) is equal to 0.3/km in the middle cloud layer. The downward flux of CO is equal to 1.7 x 10(exp 12)/sq cm/s in this model. Our second model, which is constrained to yield f(sub H2O) = 10 ppm at the lower cloud boundary, close to the value measured by the Magellan radiooccultations, predicts the position of this boundary to be at 46.5 km, which agrees with the Magellan data; f(sub H2O) (30 km) = 90 ppm, close to the data of Moroz et al. (1983) at this altitude; Phi(sub H2SO4) = 6.4 x 10(exp 12)/sq cm/s; and Phi(sub co) = 4.2 x 10(exp 12)/sq cm/s. The S/H2SO4 flux mass ratio is 1:18, and the extinction coefficient of the mode 3 sulfuric acid particles is equal to 0.9 km in the middle cloud layer. A strong gradient of the H2SO4 vapor mixing ratio near the bottom of the cloud layer drives a large upward flux of H2SO4, which condenses and forms the excessive downward flux of liquid sulfuric acid, which is larger by a factor of 4-7 than the flux in the middle cloud layer. This is the mechanism of formation of the lower cloud layer. Variations of the lower cloud layer are discussed. Our modeling of the OCS and CO profiles in the lower atmosphere measured by Pollack et al. (1993) provides a reasonable explanation of these data and shows that the rate coefficient of the reaction SO3 + CO yields CO2 + SO2 is equal to 10(exp -11) exp(-(13,100 +/- 1000)/T) cc/s. The main channel of the reaction between SO3 and OCS is CO2 + (SO)2, and its rate coefficient is equal to 10(exp -11) exp(-(8900 +/- 500)/T) cc/s. In the conditions of Venus' lower atmosphere, (SO)2 is removed by the reaction (SO)2 + OCS yields CO + S2 + SO2. The model predicts an OCS mixing ratio of 28 ppm near the surface.

Krasnopolsky, V. A.↗
NASA NTRS1994

The Balmer-dominated northeast limb of the Cygnus loop supernova remnant

We present a comprehensive investigation of the Balmar-dominated northeast limb of the Cygnus Loop supernova remnant. Data presented include H alpha (O III), and X-ray images, UV and visible spectrophotometry, and high-resolution spectroscophy. The two relatively bright Balmer-dominated filaments visible on the POSS prints are seen to be part of a very smooth and regular complex of filaments. These filaments mark the current location of the blast wave and are seen to bound the sharply limb-brightened X-ray emission, including the previously reported X-ray, 'halo.' The (O III)/h beta ratio throughout the region is approximately 0.1, except for regions in which the shock is undergoing a transition from nonradiative to incomplete radiative to incomplete radiative conditions. At these locations (O III) emission from the cooling region is quite strong, while collisionally excited Balmer-line emission can be weak because of photoionization of the preshock medium by UV from the nascent cooling region. As a result (O III)/H beta is greater than 100 in some locations. The nonradiative/radiative transition is best studied along the length of the northwestern of the two brightest filaments, where the shock velocity and swept-up column go from approximately 180 km/s and 10(exp 17)/sq cm at one end to approximately 140 km/s and 8 x 10(exp 17)/cm at the other. There are also a number of locations of such incomplete radiative emission where the shock has recently encountered denser regions with characteristic sizes of approximately 10(exp 18) cm. There is a considerable amount of evidence that the shock has decelerated from approximately 400 km/s to less than 200 km/s in the last 1000 yr. We interpret this as the result of the blast wave hitting the wall of a cavity which surround the supernova precursor and succeed in matching a wide range of data with a reflected shock model in which the density ofthe cavity wall is approximately 1.2/cu cm and the density in the interior of the cavity is about 0.09/cu cm. This analysis supports previous suggestions that the Cygnus Loop was a cavity explosion. We opredict that the X-ray shell will continue to brighten for the next 1000 years or so, during which time the shock front will become radiative throughout the northeast region. The similarity of the time scales for post-shock cooling, shock deceleration, and the 1ressure evolution of the region violates assumptions of steady flow, and greatly complicated interpretation of shock specptra in the region. This may be a common and important effect in many supernova remnants. High-resolutoin spectroscopy of the H alpha line profile shows that the broad component is surprisingly narrow (approximately 130 km/s). Consistency between this line width and the shock velocity inferred from spectrophotometry requires either rapid postshock equilibration of T(sub i) and T(sub e), or that the shock front has declerated from 180 km/s to 150 km/s in the last approximately 200 yr. While we cannot unambiguously distinquish between these models, the required deceleration is consistent with extrapolation of the shock decleration rate inferred over the last 1000 years. The width of the narrow component of the h alpha line profile is approximately 3 km/s, which indicates that the preshock medium has been heated to approximately 25,000 K by a shock precursor. The most promising types of precursor are heating either by fast neutrals which overtake the shock or by cosmic rays. In the latter case the observed properties of the precursor constrain the cosmic-ray diffusion coefficient to be between about 10(exp 23) sq cm/s. The characteristics of the precursor seem to be about right to explain the presence of weak (S II) and (N II) emission previously reported by Fesen & Itoh (1985).

Hester, J. Jeff↗
NASA NTRS1996

Assessment of the polycyclic aromatic hydrocarbon-diffuse interstellar band proposal

The potential link between neutral and/or ionized polycyclic aromatic hydrocarbons (PAHs) and the diffuse interstellar band (DIB) carriers is examined. Based on the study of the general physical and chemical properties of PAHs, an assessment is made of their possible contribution to the DIB carriers. It is found that, under the conditions reigning in the diffuse interstellar medium, PAHs can be present in the form of neutral molecules as well as positive and/or negative ions. The charge distribution of small PAHs is dominated, however, by two charge states at one time with compact PAHs present only in the neutral and cationic forms. Each PAH has a distinct spectral signature depending on its charge state. Moreover, the spectra of ionized PAHs are always clearly dominated by a single band in the DIB spectral range. In the case of compact PAH ions, the strongest absorption band is of type A (i.e., the band is broad, falls in the high-energy range of the spectrum, and possesses a large oscillator strength), and seems to correlate with strong and broad DIBs. For noncompact PAH ions, the strongest absorption band is of type I (i.e., the band is narrow, falls in the low-energy range of the spectrum, and possesses a small oscillator strength), and seems to correlate with weak and narrow DIBs. Potential molecular size and structure constraints for interstellar PAHs are derived by comparing known DIB characteristics to the spectroscopic properties of PAHs. It is found that (i) only neutral PAHs larger than about 30 carbon atoms could, if present, contribute to the DIBs. (ii) For compact PAHs, only ions with less than about 250 carbon atoms could, if present, contribute to the DIBs. (iii) The observed distribution of the DIBs between strong/moderate and broad bands on the one hand and weak and narow bands on the other can easily be interpreted in the context of the PAH proposal by a distribution of compact and noncompact PAH ions, respectively. A plausible correlation between PAH charge states and DIB "families" is thus provided by the PAH-DIB proposal. Following this proposal, DIB families would reflect conditions within a cloud which locally determine the relative importance of cations, anions, and neutral species, rather than tracers of a specific species. Observational predictions are given to establish the viability of the PAH hypothesis. It is concluded that small PAH ions are very promising candidates as DIB carriers provided their population is dominated by a finite number (100-200) of species. A key test for the PAH proposal, consisting of laboratory and astronomical investigations in the ultraviolet range, is called for.

NASA Discipline Number 52-10↗
NASA NTRSDate not supplied

Effect of salinity on the preservation of biomarkers in hypersaline microbial mat kerogens

Kerogen is the residue that remains after the minerals and organic compounds have been extracted from a rock using acid and organic solvents, respectively [1]. It is not only the largest organic carbon sink in the geological record but the best-preserved fraction due to its recalcitrance and ability to retain syngenetic source information during deposition [2]. Due to the complex, macromolecular, cross-linked polymeric structure of kerogen, it is difficult to analyse intact, often requiring breakdown into smaller subunits through thermal (pyrolysis) or chemical treatment (chemolysis) [3]. Saline and hypersaline environments host diverse microbial communities, which can trap and bind organic matrices such as cellular components (e.g., extracellular polymeric substances, cell wall, peptidoglycan, sheath material, etc.) with sediments, forming layered, laminated structures called microbial mats. Here we present depth profiles of two hypersaline cores through a microbial mat with differing total salinities. We looked at the composition of organic compounds released from kerogen during high temperature, hydrogen-assisted, pyrolysis to understand the effect of salinity on the composition and timing of their incorporation [4]. Field Site: The Exportadora del Sal S. A. (ESSA) saltern of Guerrero Negro (Baja California Sur, Mexico) lies within a typical sabhka environment adjacent to Laguna Ojo de Liebre. Note the spatial extent of the 13 major ponds of the ESSA system. The GN ponds thrive under well-monitored and stable conditions with steady state accretion and degradation of mat layers (around 0.5–1.4 cm per year). Organic mats typically attain up to 10 cm in thickness, depending on the location, which represents about 60 years of growth since these ponds were established. Sedimentation rate is rapid in these non-lithifying and non-mineralising mats, 1–1.5 cm per year. This environment is ideal for investigating in situ lipid preservation and diagenesis without the influence of constantly changing physical parameters. Methods: P4n5 and P5AB cores were collected as ~9 cm and 6.5 cm fresh cores, respectively, in June 2001 and September 2010, respectively from the ESSA saltern. The P4n5 core (9-9.1% salinity) was taken from Pond 4 near 5 and sub-divided into 10 layers. The P5AB core (11.2% salinity) was taken from Pond 5A near 5B and sub-divided into 8 layers. Lyophilised microbial mat powders were solvent-extracted using a modified Bligh-Dyer method and analysed by gas chromatography-mass spectrometry (GC-MS). Additionally, a subset of layers—layer 4 and layer 7—which represented active biomass and sediment-processed, respectively, were subjected to mild-acid methanolysis. The respective residues from conventional solvent extraction and acid methanolysis were loaded with a molybdenum sulfide catalyst and placed into a stainless-steel reactor. Samples were run on the hydropyrolysis set up (heated to 500 °C with 13-15 MPa of H2 pressure), extracted, and analysed by GC-MS. Results: Molecular profiles from the two ponds were significantly different and reflect the contributions of different photosynthetic and respiratory microbial communities to preserved organic matter. For example, the higher salinity P5AB core showed evidence of greater archaeal inputs (similarly observed in lab culture experiments [5]) as well as potential kerogen-bound carotenoids/carotenoid rearranged products or fragments. A hydrophobic emulsion formed during the acid methanolysis processing of layer 4 from both P4n5 and P5AB and layer 7 of P5AB. Hydropyrolysis of this hydrophobic residues released a greater abundance of polycyclic lipids relative to the pre-extracted control. Implications and Future Work: Catalytic hydropyrolysis of kerogen can rapidly generate abundant saturated pyrolysate products from the bound biomarker pool without altering the structures or stereochemistries of the products [6]. Chemical processing of solvent-extractable residues indicated that cellular matrices such as extracellular polymeric substances (EPS) may play a role in the sequestration of polycyclic lipid biomarkers such as steranes and hopanes. Their higher relative abundance compared to the pre-extracted control in the higher salinity layers and cores preliminarily aligns with this hypothesis, although further experiments are required to confirm this. It has been well-documented that EPS plays an important role in mineralisation, specifically carbonate formation, in microbial ecosystems. EPS can enhance calcium carbonate precipitation by providing diffusion-limited sites that create alkalinity gradients in response to microbial processes [7]. It has been experimentally demonstrated that salinity influences the total amount of EPS (both loosely- and tightly-bound) which increases with increasing salinity [8]. The higher salinity at Guerrero Negro switches the microbial population from filamentous Microcoleus to being dominated by Phormidium, Oscillatoria, and unicellular cyanobacteria. We demonstrated that lipid binding into kerogen via strong covalent linkages occurs at the very earliest stages of sedimentary diagenesis. We are currently investigating the influence of salinity on organic preservation through experimental and modelling approaches. Understanding how key biomarkers transform into preserved organic matter (i.e., from precursor biolipids to bound geolipids) in brine ecosystems will aid the search for organic biosignatures on other planetary bodies, especially Icy Moons and modern Mars.

hypersaline↗