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NASA NTRS1984

Production of large-particle-size monodisperse latexes

The research program achieved two objectives: (1) it has refined and extended the experimental techniques for preparing monodisperse latexes in quantity on the ground up to a particle diameter of 10 microns; and (2) it has demonstrated that a microgravity environment can be used to grow monodisperse latexes to larger sizes, where the limitations in size have yet to be defined. The experimental development of the monodisperse latex reactor (MLR) and the seeded emulsion polymerizations carried out in the laboratory prototype of the flight hardware, as a function of the operational parameters is discussed. The emphasis is directed towards the measurement, interpretation, and modeling of the kinetics of seeded emulsion polymerization and successive seeded emulsion polymerization. The recipe development of seeded emulsion polymerization as a function of particle size is discussed. The equilibrium swelling of latex particles with monomers was investigated both theoretically and experimentally. Extensive studies are reported on both the type and concentration of initiators, surfactants, and inhibitors, which eventually led to the development of the flight recipes. The experimental results of the flight experiments are discussed, as well as the experimental development of inhibition of seeded emulsion polymerization in terms of time of inhibition and the effect of inhibitors on the kinetics of polymerization.

Vanderhoff, J. W.↗

NASA NTRS1994

Small UHV compatible hyperthermal oxygen atom generator

A high purity, hyperthermal, continuous beam atomic oxygen source capable of retrofitting to existing UHV systems has been developed. The instrument complements a general system capability, while its small size and simplicity of design permits tailoring the instrument for most experimental geometries. The flux level presently available is near 1 x 10 (exp 14) cm(exp -2)s(exp -1)(3P) but may be extended toward the theoretical limit of 3x10(exp 15 cm(exp -2)s(exp -1). The energy distribution of the emitted neutrals shows that the mean kinetic energy is about the same as observed for the ions or about 4 eV. The energy of the oxygen atoms may be substantially reduced for other applications by collision with a temperature controlled, non-reactive surface (with a concomitant spread in the energy distribution).

Outlaw, Ronald A.↗

NASA NTRS1999

High-Area-Ratio Rocket Nozzle at High Combustion Chamber Pressure: Experimental and Analytical Validation

Experimental data were obtained on an optimally contoured nozzle with an area ratio of 1025:1 and on a truncated version of this nozzle with an area ratio of 440:1. The nozzles were tested with gaseous hydrogen and liquid oxygen propellants at combustion chamber pressures of 1800 to 2400 psia and mixture ratios of 3.89 to 6.15. This report compares the experimental performance, heat transfer, and boundary layer total pressure measurements with theoretical predictions of the current Joint Army, Navy, NASA, Air Force (JANNAF) developed methodology. This methodology makes use of the Two-Dimensional Kinetics (TDK) nozzle performance code. Comparisons of the TDK-predicted performance to experimentally attained thrust performance indicated that both the vacuum thrust coefficient and the vacuum specific impulse values were approximately 2.0-percent higher than the turbulent prediction for the 1025:1 configurations, and approximately 0.25-percent higher than the turbulent prediction for the 440:1 configuration. Nozzle wall temperatures were measured on the outside of a thin-walled heat sink nozzle during the test fittings. Nozzle heat fluxes were calculated front the time histories of these temperatures and compared with predictions made with the TDK code. The heat flux values were overpredicted for all cases. The results range from nearly 100 percent at an area ratio of 50 to only approximately 3 percent at an area ratio of 975. Values of the integral of the heat flux as a function of nozzle surface area were also calculated. Comparisons of the experiment with analyses of the heat flux and the heat rate per axial length also show that the experimental values were lower than the predicted value. Three boundary layer rakes mounted on the nozzle exit were used for boundary layer measurements. This arrangement allowed total pressure measurements to be obtained at 14 different distances from the nozzle wall. A comparison of boundary layer total pressure profiles and analytical predictions show good agreement for the first 0.5 in. from the nozzle wall; but the further into the core flow that measurements were taken, the more that TDK overpredicted the boundary layer thickness.

Jankovsky, Robert S.↗

NASA NTRS1975

Theoretical study of production of unique glasses in space

The potential of producing the glassy form of selected materials in the weightless, containerless nature of space processing is examined through the development of kinetic relationships describing nucleation and crystallization phenomena. Transformation kinetics are applied to a well-characterized system (SiO2), an excellent glass former (B2O3), and a poor glass former (Al2O3) by conventional earth processing methods. Viscosity and entropy of fusion are shown to be the primary materials parameters controlling the glass forming tendency. For multicomponent systems diffusion-controlled kinetics and heterogeneous nucleation effects are considered. An analytical empirical approach is used to analyze the mullite system. Results are consistent with experimentally observed data and indicate the promise of mullite as a future space processing candidate.

Larsen, D. C.↗

NASA NTRS1996

Rejoining and misrejoining of radiation-induced chromatin breaks. II. Biophysical Model

A biophysical model for the kinetics of the formation of radiation-induced chromosome aberrations is developed to account for the recent experimental results obtained with a combination of the premature chromosome condensation (PCC) and fluorescence in situ hybridization (FISH) techniques. In this model, we consider the broken ends of DNA double-strand breaks (DSBs) to be reactant and make use of the interaction distance hypothesis. The repair/misrepair process between broken ends is suggested to consist of two steps; the first step represents the two break ends approaching each other, and the second step represents the enzymatic processes leading to DNA end-to-end rejoining. Only the second step is reflected in the kinetics observed in experiments using PCC. The model appears to be able to fit existing data for human cells. It is shown that the kinetics of the formation of chromosome aberrations can be explained by a single rate that characterizes both rejoining and misrejoining of DSBs, suggesting that repair and misrepair share the same mechanism. Fast repair (completed in minutes) in a subset of DSBs is suggested as an explanation of the complete exchanges observed with PCC in human lymphocytes immediately after irradiation. The fast repair component seems to be absent in human fibroblasts.

NASA Center JSC↗

NASA NTRS2023

Chemical Thermodynamics and the Mathematical Integration of Reaction Kinetics

Key advances in the development of numerical methods for non-reacting compressible flows have been enabled by translating physical requirements into concrete numerical guidelines, such as the satisfaction of entropy inequalities for shock-capturing techniques [Lax, Contributions to Nonlinear Functional Analysis (1971) 603-634]. In the present work, we present nonlinear numerical analysis tools that draw from Chemical Thermodynamics , the branch of Nonequilibrium Thermodynamics that deals with chemical reactions. Through Gibbs formalism, chemical thermodynamics provides a well-known theoretical expression for the chemical equilibrium constant of a reaction in terms of reduced chemical potentials. A less-known, yet extremely valuable result, due to [Krambeck, Arch. Ration. Mech. Anal. , 38 (1970) 317], states that when this expression is implemented, mass-action kinetic models are consistent with the dynamical prescriptions of the 2nd law of thermodynamics. For fixed-temperature ordinary differential equations modeling constant-volume reacting gas mixtures, this leads to a decreasing Helmholtz free energy. If the temperature is allowed to vary in accordance with conservation of energy (1st law), this leads to the statement of increasing entropy. These nonlinear prescriptions can, and should be, used to further develop temporal integration techniques for reaction kinetics. We demonstrate that Krambeck's result holds even when the equilibrium constants are approximated from data. We prove this result by constructing the implicit free energy and the implicit entropy inherent to a given approximation. This is first done for a 5-species, 17-reaction model problem for air. With this structure established, elements of discrete entropy-stability theory [Tadmor, Acta Numer. , 12 (2003) 451] are leveraged to examine the consistency of time-integration schemes with these prescriptions. Using chemical potentials, one can compute the respective contributions of the kinetics model and of the temporal scheme to free energy/entropy variations. We introduce a nonlinear-stable version of the Discontinuous-Galerkin (DG) scheme in time which shows robustness improvements over the standard linearly-stable version. Most notably, the maximum timestep that can be resolved with the nonlinearly-stable variant tends to grow with polynomial order, in contrast to the linearly-stable variant. We generalize our constructions to arbitrary systems of reversible chemical reactions, ultimately showing that the compressible reacting Euler system admits the opposite of the implicitly constructed thermodynamic entropy as a mathematical entropy . This lays important theoretical foundations towards robust scheme development [Harten, J. Comput. Phys. 49 (1983) 151-164].

STMD↗

NASA NTRS2007

Comparison of Integrated Radiation Transport Models with TEPC Measurements for the Average Quality Factors in Spaceflights

The purpose of this work is to test our theoretical model for the interpretation of radiation data measured in space. During the space missions astronauts are exposed to the complex field of radiation type and kinetic energies from galactic cosmic rays (GCR), trapped protons, and sometimes solar particle events (SPEs). The tissue equivalent proportional counter (TEPC) is a simple time-dependent approach for radiation monitoring for astronauts on board the International Space Station. Another and a newer approach to Microdosimetry is the use of silicon-on-insulator (SOI) technology launched on the MidSTAR-1 mission in low Earth orbit (LEO). In the radiation protection practice, the average quality factor of a radiation field is defined as a function of linear energy transfer (LET), Q(sub ave)(LET). However, TEPC measures the average quality factor as a function of the lineal energy y, Q(sub ave)(y), defined as the average energy deposition in a volume divided by the average chord length of the volume. Lineal energy, y, deviates from LET due to energy straggling, delta-ray escape or entry, and nuclear fragments produced in the detector volume. Monte Carlo track structure simulation was employed to obtain the response of a TEPC irradiated with charged particle for an equivalent site diameter of 1 micron of wall-less counter. The calculated data of the energy absorption in the wall-less counter were compiled for various y values for several ion types at various discrete projectile energy levels. For the simulation of TEPC response from the mixed radiation environments inside a spacecraft, such as, Space Shuttle and International Space Station, the complete microdosimetric TEPC response, f( y, E, Z), were calculated with the Monte Carlo theoretical results by using the first order Lagrangian interpolation for a monovariate function at a given y value (y = 0.1 keV/micron 5000 keV/micron) at any projectile energy level (E = 0.01 MeV/u to 50,000 MeV/u) of each specific radiation type (Z = 1 to 28). Because the anomalous response has been observed at large event sizes in the experiment due to the escape of energy out of sensitive volume by delta-rays and the entry of delta-rays from the high-density wall into the low-density gas-volume cavity, Monte Carlo simulation was also made for the response of a walled-TEPC with wall thickness 2 mm and density 1 g/cm(exp 3). The radius of cavity was set to 6.35 mm and a gas density 7.874 x 10(exp -5) g/cm(exp 3). The response of the walled- and the wall-less counters were compared. The average quality factor Q(sub ave)(y) for trapped protons on STS-89 demonstrated the good agreement between the model calculations and flight TEPC data as shown. Using an integrated space radiation model (this includes the transport codes HZETRN and BRYNTRN, the quantum nuclear interaction model QMSFRG) and the resultant response distribution functions of walled-TEPC from Monte-Carlo track simulations, we compared model calculations with walled-TEPC measurements from NASA missions in LEO and made predictions for the lunar and the Mars missions. The Q(sub ave)(y) values for the trapped or the solar protons ranged from 1.9-2.5. This over-estimates the Qave(LET) values which ranged from 1.4-1.6. Both quantities increase with shield thickness due to nuclear fragmentation. The Q(sub ave)(LET) for the complete GCR spectra was found to be 3.5-4.5, while flight TEPCs measured 2.9-3.4 for Q(sub ave)(y). The GCR values are decreasing with the shield thickness. Our analysis for a proper interpretation of data supports the use of TEPCs for monitoring space radiation environment.

Kim, Myung-Hee Y.↗

NASA NTRS1987

Temperature anisotropies in the terrestrial ionosphere and plasmasphere

Theoretical work in which the solution of closed sets of transport equations has predicted the existence of temperature anisotropies in the terrestrial ionosphere-plasmasphere system is discussed, considering only thermal (less than 1 eV) particle populations. Various models used to predict ion and electron temperature anisotropies, including kinetic, semikinetic, hydromagnetic, and generalized transport models, predict temperature anisotropies in the polar wind, along plasmapause field lines, during the refilling of the outer plasmasphere after depletion by a magnetic storm, and at F region altitudes in regions of rapid plasma convection. However, only some of the theoretical predictions agree with experimental evidence. Other models predict isotropic temperature distributions in regions where observations indicated the presence of temperature anisotropies.

Demars, H. G.↗

NASA NTRS1975

International Symposium on Combustion, 15th, Tokyo, Japan, August 25-31, 1974, Proceedings

Recent theoretical and experimental studies concerned with detonation and pressure wave combustion interaction, fire and explosion research and safety, heterogeneous combustion, flame-flow interactions, kinetics of elementary reactions, pollution control in and by combustion systems, and ignition are presented. Some of the topics covered include critical power density for direct initiation of unconfined gaseous detonations, extinction of laminar diffusion flames for liquid fuels, combustion of bulk titanium in oxygen, flame propagation in small spheres of unconfined and slightly confined flammable mixtures, kinetics of the reaction of nitric oxide with hydrogen, production of chemi-ions and formation of CH and CH2 radicals in methane-oxygen and ethylene-oxygen flames, NOx emission characteristics in two-stage combustion, and spherical ignition of oxyhydrogen behind a reflected shock wave. Individual items are announced in this issue.

Source record↗

NASA NTRS1990

Oxygen production by electrolysis of molten lunar regolith

The goal of this study was threefold. First, the theoretical energy requirements of the process were to be defined. This includes studies of the relevant oxidation-reduction reactions in the melt, their kinetics and energies of reaction, and experimental determination of production efficiencies and melt resistivities as functions of melt composition and applied potential. Second, the product(s) of silicate electrolysis were to be characterized. This includes: (1) evaluating the phase relationships in the systems SiO2-TiO2-Al2O3-MgO-FeO-CaO and Fe-Si; (2) estimating the compositions of the metal products as a function of applied potential and feedstock composition based on phase equilibria in the Fe-Si system and free energy values for SiO2 and FeO reported in the literature; (3) definition of compositions of products in actual experiments; and (4) definition of the form the product takes (whether phases separate or remain fixed, whether crystals settle or float in the remaining melt, and how large crystals form). Third, materials for these highly corrosive high-temperature silicate melts were to be identified. This includes identifing materials that may be either inert or thermodynamically stable in these melts, and experimental testing of the materials to confirm that they do not deteriorate. The results are discussed within this framework.

Haskin, Larry A.↗

NASA NTRS2013

Conductance of Ion Channels - Theory vs. Experiment

Transmembrane ion channels mediate a number of essential physiological processes in a cell ranging from regulating osmotic pressure to transmission of neural signals. Kinetics and selectivity of ion transport is of critical importance to a cell and, not surprisingly, it is a subject of numerous experimental and theoretical studies. In this presentation we will analyze in detail computer simulations of two simple channels from fungi - antiamoebin and trichotoxin. Each of these channels is made of an alpha-helical bundle of small, nongenomically synthesized peptides containing a number of rare amino acids and exhibits strong antimicrobial activity. We will focus on calculating ionic conductance defined as the ratio of ionic current through the channel to applied voltage. From molecular dynamics simulations, conductance can be calculated in at least two ways, each involving different approximations. Specifically, the current, given as the number of charges transferred through the channel per unit of time, can be obtained from the number of events in which ions cross the channel during the simulation. This method works well for large currents (high conductance values and/or applied voltages). If the number of crossing events is small, reliable estimates of current are difficult to achieve. Alternatively, conductance can be estimated assuming that ion transport can be well approximated as diffusion in the external potential given by the free energy profile. Then, the current can be calculated by solving the one-dimensional diffusion equation in this external potential and applied voltage (the generalized Nernst-Planck equation). To do so three ingredients are needed: the free energy profile, the position-dependent diffusion coefficient and the diffusive flux of ions into the channel. All these quantities can be obtained from molecular dynamics simulations. An important advantage of this method is that it can be used equally well to estimating large and small currents. In addition, once the free energy profile becomes available the full current-voltage dependence can be readily obtained. For both channels we carried out calculations using both approaches. We also tested the main assumptions underlying the diffusive model, such as uncorrelated nature of individual crossing events and Fickian diffusion. The accuracy and consistency of different methods will be discussed. Finally we will discuss how comparisons between calculated and measured ionic conductance and selectivity of transport can be used for determining structural models of the channels.

Pohorille, Andrew↗

NASA NTRS1975

Pyroxenes and olivines: Structural implications of shock-wave data for high pressure phases

The nature of the shock-induced, high-pressure phases of olivine and pyroxene rocks is examined in the light of data for the densities of a new class of perovskite-related silicate structures. Also examined are some new Hugoniot and release adiabat data for bronzite. Reexamining available shock data for magnesian pyroxenes and olivines leads to the conclusion that they define a mixed phase (or disequilibrium) region to about the 100 GPa range, related to the kinetics of phase transformation in these silicates. By recognizing this point, certain discrepancies in previous interpretations of shock data can be explained. A set of theoretical Hugonoits for pyroxene and olivine stoichiometry, perovskite-bearing assemblages was constructed based on their properties deduced from high-pressure work, showing that the shock data is compatible with transformations to perovskites in the 45-7GPa region. Finally, the shock data indicate very similar properties for olivine and pyroxene at high pressures making them both equally likely candidates for the lower mantle.

Jeanloz, R.↗

NASA NTRS1983

Experimental determination of gap flow-conditioned forces at turbine stages and their effect on the running stability of simple rotors

Instabilities in turbine operation can be caused by forces which are produced in connection with motions involving the oil film in the bearings. An experimental investigation regarding the characteristics of such forces in the case of three typical steam turbine stages is conducted, taking into account the effect of various parameters. Supplementary kinetic tests are carried out to obtain an estimate of the flow forces which are proportional to the velocity. The measurements are based on the theoretical study of the damping characteristics of a vibrational model. A computational analysis of the effect of the measured fluid forces on the stability characteristics of simple rotor model is also conducted.

Wohlrab, R.↗

NASA NTRS1988

Recent laboratory results of the KITE attitude dynamics simulator

It has previously been shown that, for all but the most simple tethered satellite missions, conventional means of performing attitude control are insufficient. A particularly effective method of implementing attitude control for tethered satellites is to use the tether tension force to generate control torques by moving the tether attach point relative to the satellite center of mass. It has been proposed to demonstrate this attitude control technique in a Space Shuttle flight test project known as the Kinetic Isolation Tether Experiment (KITE). This paper describes a scaled, one dimensional laboratory simulation of the KITE mission. The simulator has been built to verify theoretical predictions of attitude control ability and to investigate the technological requirements in order to implement this concept. The laboratory apparatus is described in detail and preliminary experimental results are presented and discussed. The results to date have shown a fine pointing accuracy of 5 arc-seconds RMS and a closed-loop bandwidth of 0.08 Hz.

Kline-Schoder, Robert↗

NASA NTRS1999

Thermophysical Property Measurements of Molten Semiconductors in 1-g and Reduced-g Condition

Understanding and controlling the formation kinetics of varieties of crystal imperfections such as point defects, non uniform distribution of doping atoms, and impurity atoms in growing crystals are very important. Theoretical (numerical) modeling of the crystal growth process is an essential step to achieving these objectives. In order to obtain reliable modeling results, input parameters, i.e. various thermophysical parameters, must be accurate. The importance of accurate thermophysical properties of semiconductors in crystal growth cannot be overly emphasized. The total hemispherical emissivity, for instance, has a dramatic impact on the thermal environment. It determines the radiative emission from the surface of the melt which determines to a large extent the profile of the solidified crystal. In order to understand the convection and the turbulence in a melt, viscosity becomes an important parameter. The liquid surface tension determines the shape of the liquid-atmosphere interface near the solid-liquid-atmosphere triple point. Currently used values for these parameters are rather inaccurate, and this program intends to provide more reliable measurements of these thermophysical properties. Thus, the objective of this program is in the accurate measurements of various thermophysical properties which can be reliably used in the modeling of various crystal growth processes. In this program, thermophysical properties of molten semiconductors, such as Si, Ge, Si-Ge, and InSb will be measured as a function of temperature using the High Temperature Electrostatic Levitator at JPL. Each material will be doped by different kinds of impurities at various doping levels. Thermophysical properties which will be measured include: density, thermal expansion coefficient, surface tension, viscosity, specific heat, hemispherical total emissivity, and perhaps electrical and thermal conductivities. Many molten semiconductors are chemically reactive with crucibles. As a result, these dispersed impurities in the melts tend to substantially modify the properties of pure semiconductors. Sample levitation done in a vacuum clearly helps maintain the sample purity. However, in the 1-g environment, all gravity caused effects such as convection, sedimentation and buoyancy are still present in the sample. In addition, large forces needed to levitate a sample in the presence of the gravity can cause additional flows in the melt. The use of the High Temperature Electrostatic Levitator (HTESL) for the present research is a recent development and little is known about the flows induced by the electrostatic forces. In this ground base program, we will define the limits of HTESL technology as various thermophysical properties of molten semiconductors are measured.

Rhim, Won-Kyu↗

NASA NTRS2002

Self-Consistent Magnetosphere-Ionosphere Coupling: Theoretical Studies

A self-consistent ring current (RC) model has been developed that couples electron and ion magnetospheric dynamics with the calculation of the electric field. Two new features were taken into account in order to close the self-consistent magnetosphere- ionosphere coupling loop. First, in addition to the RC ions, we solve an electron kinetic equation in our model. Second, using the relation of Galand and Richmond [2001], we calculate the height integrated ionospheric conductances as a function of the precipitated high energy magnetospheric electrons and ions that are produced by our code. To validate the results of our model we simulate the magnetic storm of May 2, 1986, a storm that has has been comprehensively studied, and compare our results with different theoretical approaches. The self-consistent inclusion of the hot electrons and, their effect on the conductance results in deeper penetration of the magnetospheric electric field. In addition, a slight westward rotation of the potential pattern (compared to previous self-consistent results) is evident in the inner magnetosphere. This changes the hot plasma distribution, especially by allowing increased access of plasma sheet ions and electrons to low L shells.

Khazanov, G. V.↗

NASA NTRS1977

Modelling the effects of turbulence on acoustic wave propagation

A review of recent theoretical modeling of the effects of turbulence on acoustic wave propagation is presented. The Born approximation limit of the smoothing method of Keller and of the kinetic theory method of Howe are compared with the classical perturbation results of Chernov. Secular growth is observed in the higher order terms of the kinetic theory method of Howe when multiple scaling is ignored. The forward propagation - beam broadening model of Brown and Clifford is discussed as well as the single scatter model of DeLoach and of Rudd. Each model is examined with respect to its prediction of conservation of energy.

Harris, W. L.↗

NASA NTRS1978

Grain formation in astronomical systems: A critical review of condensation processes

An analysis is presented of the assumption and the applicability of the three theoretical methods for calculating condensations in cosmic clouds where no pre-existing nuclei exist. The three procedures are: thermodynamic equilibrium calculations, nucleation theory, and a kinetic treatment which would take into account the characteristics of each individual collision. Thermodynamics provide detailed results on the composition temperature and composition of the condensate provided the system attains equilibrium. Because of the cosmic abundance mixture of elements, large supersaturations in some cases and low pressures, equilibrium is not expected in astronomical clouds. Nucleation theory, a combination of thermodynamics and kinetics, has the limitations of each scheme. Kinetics, not requiring equilibrium, avoids nearly all the thermodynamics difficulties but requires detailed knowledge of many reactions which thermodynamics avoids. It appears to be the only valid way to treat grain formation in space. A review of experimental studies is given.

Donn, B.↗