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At least 127 records · Page 7

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗

Ion heating mechanism in a modified Penning discharge

Ions with Maxwellian energy distributions and kinetic temperatures ranging from 20 eV to 7 keV have been observed in a modified Penning discharge operating in the steady state. Investigation of the plasma revealed two distinct spoke-like concentrations of charge rotating with different velocities in the sheath between the plasma and the anode ring. The faster spoke consists of electrons rotating with the E/B drift velocity, where E is the electric field and B is the magnetic field strength. The slow spoke consists of ions, the thermal velocity of which is observed to be proportional to the spoke velocity. The experimental data are consistent with a model whereby the ion drift velocity in this spoke, corresponding to kilovolt ion energies, is Maxwellianized by strong electrostatic turbulence in the sheath. Theoretical expressions are derived for the frequency of the electron and ion spoke rotation, for the ion kinetic temperature, and for the ion heating efficiency as functions of the discharge parameters. These expressions are shown to be consistent with extensive experimental data.

Roth, J. R.↗

The cause of the nova outburst

A large number of models are evolved for thermonuclear runaways in the hydrogen-rich envelopes of 1.00-solar-mass carbon-oxygen white dwarfs. Models characterized by enhanced CNO abundances satisfy the observations of the common nova outburst, ejecting from 10 to the 27th to 10 to the 29th power g at velocities of 200 to 2400 km/s and kinetic energies of 10 to the 44th to 10 to the 45th power erg. The theoretical light curves are similar to the observed light curves of common novae during the early stages of the outbursts. Explanations are given for the continuous ejection of mass which is observed for long times after the initial outbursts, for the relationship between maximum magnitude and the decline to minimum, and for the constant luminosity phase of the outburst and the oval shapes of the ejected nebulae. The analysis is extended to models with extreme enhancements of C-12 and to models which include infalling material in the evolution. The extreme C-12 studies result in outbursts which reach near-supernova proportions, while the accretion models result in light curves which resemble observed light curves quite closely. The accretion studies also demonstrate the need for enhanced abundances.

Starrfield, S.↗

Experimental Investigation of Organic Synthesis in Hydrothermal Environments

The results of the investigation were presented at a Astrobiology Institute General Meeting. Seafloor hydrothermal systems may be the most likely locations on the early Earth for the emergence of life. Because of the disequilibrium inherent in such dynamic, mixing environments, abundant chemical energy would have been available for formation of the building blocks of life. In addition, theoretical studies suggest that organic compounds in these conditions would reach metastable states, due to kinetic barriers to the formation of stable equilibrium products (CO2 and methane). The speciation of organic carbon in metastable states is highly dependent on the oxidation state, pH, temperature, pressure and bulk composition of the system. The goal of our research is to investigate the effects of a number external variables on the formation, transformation, and stability of organic compounds at hydrothermal conditions. We have begun experimental work to attempt to control the oxidation state of simulated hydrothermal systems by using buffers composed of mineral powders and gas mixtures. We are also beginning to test the stability of organic compounds under these conditions.

Shock, Everett L.↗

Magnetic Reconnection: Theoretical and Observational Perspectives: Preface

Magnetic reconnection is a fundamental plasma-physical process by which energy stored in a magnetic field is converted, often explosively, into heat and the kinetic energy of the charged particles that constitute the plasma. It occurs in a variety of astrophysical settings, ranging from the solar corona to pulsar magnetospheres and winds, as well as in laboratory fusion experiments, where it is responsible for sawtooth crashes. First proposed by R.G. Giovanelli in the late I 940s as the mechanism responsible for solar flares, magnetic reconnection was invoked at the beginning of the space age to explain not just solar flares but also the transfer of energy, mass, and momentum from the solar wind to Earth's magnetosphere and the subsequent storage and release of the transferred energy in the magnetotai\. During the half century or so that has followed the seminal theoretical works by J.W. Dungey, P.A. Sweet, E.N. Parker, and H.E. Petschek, in-situ measurements by Earth-orbiting satellites and remote-sensing observations of the solar corona have provided a growing body of evidence for the occurrence of reconnection at the Sun, in the solar wind, and in the near-Earth space environment. The last thirty years have also seen the development of laboratory reconnection experiments at a number of institutions. In parallel with the efforts of experimentalists in both space and laboratory plasma physics, theorists have investigated, analytically and with the help of increasingly powerful MHD, hybrid, and kinetic numerical simulations, the structure of the diffusion region, the factors controlling the rate, onset, and cessation of reconnection, and the detailed physics that enables the demagnetization of the ions and electrons and the topological reconfiguration of the magnetic field. Moreover, the scope of theoretical reconnection studies has been extended well beyond solar system and laboratory plasmas to include more exotic astrophysical plasma systems whose strong (10(exp 14)-10(exp 15) G) magnetic fields require that models of reconnection in these systems incorporate quantum electrodynamical, special relativistic, and radiative effects. The papers collected in this topical issue of Space Science Reviews cover different aspects of recent theoretical and observational work on magnetic reconnection in solar and space physics, astrophysics, and laboratory plasma physics. They derive from presentations given at a workshop on magnetic reconnection held in the Yosemite National Park, February 8-12,2010. The intent of the workshop was to stimulate, through a combination of tutorial talks, shorter focused talks, and extensive informal discussions, an interdisciplinary dialogue among members of the different research communities working on the problem of magnetic reconnection. One of the motivating considerations for holding the workshop was its relevance to NASA's Magnetospheric Multiscale (MMS) mission, scheduled for launch in 2014. The four identically instrumented MMS spacecraft are designed to study reconnect ion in Earth's magnetosphere and, specifically, to probe the electron diffusion region in order to determine the microphysical processes that enable the change in the topology of the magnetic field. Building on the achievements of the multi spacecraft Cluster and THEMIS missions, MMS will use the magnetosphere as an astrophysical plasma laboratory in which to test, through in-situ measurement of the plasma, energetic particles, and electric and magnetic fields, various models and theories that have emerged during the past twenty years, a period of extraordinarily productive theoretical and observational work.

Lewis, W. S.↗

Trajectories and energy transfer of saltating particles onto rock surfaces : application to abrasion and ventifact formation on Earth and Mars

The interaction between saltating sand grains and rock surfaces is assessed to gauge relative abrasion potential as a function of rock shape, wind speed, grain size, and planetary environment. Many kinetic energy height profiles for impacts exhibit a distinctive increase, or kink, a few centimeters above the surface, consistent with previous field, wind tunnel, and theoretical investigations. The height of the kink observed in natural and wind tunnel settings is greater than predictions by a factor of 2 or more, probably because of enhanced bouncing off hard ground surfaces. Rebounded grains increase the effective flux and relative kinetic energy for intermediate slope angles. Whether abrasion occurs, as opposed to simple grain impact with little or no mass lost from the rock, depends on whether the grain kinetic energy (EG) exceeds a critical value (EC), as well as the flux of grains with energies above EC. The magnitude of abrasion and the shape change of the rock over time depends on this flux and the value of EG > EC. Considering the potential range of particle sizes and wind speeds, the predicted kinetic energies of saltating sand hitting rocks overlap on Earth and Mars. However, when limited to the most likely grain sizes and threshold conditions, our results agree with previous work and show that kinetic energies are about an order of magnitude greater on Mars.

planet sufraces↗

Venus surface mineralogy - Observational and theoretical constraints

Earth-based, earth-orbital, and spacecraft observations of the atmosphere and surface of Venus, thermodynamic models of atmosphere-lithosphere interactions, and where available kinetic data on relevant gas-solid reactions to place constraints on the mineralogy of the surface of Venus are used. Which minerals and mineral assemblages are stable on the surface of Venus and which, if any, of these minerals are involved in controlling the abundances of reactive gases in the atmosphere of Venus. It is concluded by identifying key issues facing us today about the mineralogy and geochemistry of the surface of Venus and suggest experimental, observational, and theoretical studies that can improve knowledge of these important questions are discussed.

Fegley, Bruce, Jr.↗

Theoretical studies of important processes in planetary and comet atmospheres. Renewel request

Current efforts have focused on the dissociative recombination (DR) of O2(+), a process of great importance in planetary atmospheres. This process is difficult to study experimentally because of the need to determine the dependence of the product electronic states and kinetic energies upon the vibrational distribution of the ion and electron temperature. The knowledge of these characteristics of DR is needed to accurately model planetary ionospheres. Using a theoretical quantum chemical approach, the generation of O(1S) from DR was studied in detail.

Guberman, Steven L.↗

Bounded energy states in homogeneous turbulent shear flow: An alternative view

The equilibrium structure of homogeneous turbulent shear flow is investigated from a theoretical standpoint. Existing turbulence models, in apparent agreement with physical and numerical experiments, predict an unbounded exponential time growth of the turbulent kinetic energy and dissipation rate; only the anisotropy tensor and turbulent time scale reach a structural equilibrium. It is shown that if vortex stretching is accounted for in the dissipation rate transport equation, then there can exist equilibrium solutions, with bounded energy states, where the turbulence production is balanced by its dissipation. Illustrative calculations are present for a k-epsilon model modified to account for vortex stretching. The calculations indicate an initial exponential time growth of the turbulent kinetic energy and dissipation rate for elapsed times that are as large as those considered in any of the previously conducted physical or numerical experiments on homogeneous shear flow. However, vortex stretching eventually takes over and forces a production-equals-dissipation equilibrium with bounded energy states. The validity of this result is further supported by an independent theoretical argument. It is concluded that the generally accepted structural equilibrium for homogeneous shear flow with unbounded component energies is in need of re-examination.

Bernard, Peter S.↗

Kinetics of a gas adsorption compressor

Chan (1981) has suggested that a process based on gas adsorption could be used as a means to drive a Joule-Thomson (J-T) device. The resulting system has several advantages. It is heat powered, it has no sealing, there are no mechanical moving parts, and no active control is required. In the present investigation, a two-phase model is used to analyze the transients of a gas adsorption compressor. The modeling of the adsorption process is based on a consideration of complete thermal and mechanical equilibrium between the gaseous phase and the adsorbed gas phase. The experimental arrangement for two sets of kinetic tests is discussed, and data regarding the experimental results are presented in graphs. For a theoretical study, a two-phase model was developed to predict the transient behavior of the compressor. A computer code was written to solve the governing equations with the aid of a standard forward marching predictor-corrector method.

Chan, C. K.↗

Bulk Formation of Metallic Glasses and Amorphous Silicon from the Melt

By using metallic glass compositions with a high relative glass transition temperature, such as Pd40Ni40P20, homogeneous nucleation also becomes negligible. Large (5g) masses of this alloys were obtained using a molten B2O3 flux. Presently, bulk glass formation in iron based glasses is being investigated. It is expected that if an undercooling of about 250K can be achieved in a Ge or Si melt, formation of the amorphous semiconductor phase (rather than the crystal) may be kinetically favored. The volumetric behavior of undercooled liquid Ga droplet dispersion is investigated by dilatometry. A theoretical model (both analytical and numerical) was developed for transient nucleation in glass forming melts. The model, originally designed for isothermal conditions, was extended to continuous quenching. It is being applied to glass formation in various metallic and oxide systems. A further refinement will be the inclusion of diffusion controlled interfacial rearrangements governing the growth of the crystal embryos.

Spaepen, F.↗

Rocket plume flowfield characterization using laser Rayleigh scattering

A Doppler-resolved laser Rayleigh scattering diagnostic was applied to a 111 N thrust, regenerative and fuel-film cooled, gaseous hydrogen/gaseous oxygen rocket engine. The axial and radial mean gas velocities were measured from the net Doppler shifts observed for two different scattering angles. Translational temperatures and number densities were estimated from the Doppler widths and scattered intensities, respectively, by assuming that water was the dominant scattering species in the exhaust. The experimental results are compared with theoretical predictions from a full Navier-Stokes code (RD/RPLUS) and the JANNAF Two-Dimensional Kinetics (TDK) and Standardized Plume Flowfield (SPF-II) codes. Discrepancies between the measured and predicted axial velocities, temperatures, and number densities are evident. Radial velocity measurements, however, show excellent agreement with predictions. The discrepancies are attributed primarily to inefficient mixing and combustion caused by the injection of excessive oxidizer along one side of the thrust chamber. Thrust and mass flow rate estimates obtained from the Rayleigh measurements show excellent agreement with the globally measured values.

Zupanc, Frank J.↗

Rocket plume flowfield characterization using laser Rayleigh scattering

A Doppler-resolved laser Rayleigh scattering diagnostic was applied to a 111 N thrust, regenerative and fuel-film cooled, gaseous hydrogen/gaseous oxygen rocket engine. The axial and radial mean gas velocities were measured from the net Doppler shifts observed for two different scattering angles. Translational temperatures and number densities were estimated from the Doppler widths and scattered intensities, respectively, by assuming that water was the dominant scattering species in the exhaust. The experimental results are compared with theoretical predictions from a full Navier-Stokes code (RD/RPLUS) and the JANNAF Two-Dimensional Kinetics (TDK) and Standardized Plume Flowfield (SPF-II) codes. Discrepancies between the measured and predicted axial velocities, temperatures, and number densities are evident. Radial velocity measurements, however, show excellent agreement with predictions. The discrepancies are attributed primarily to inefficient mixing and combustion caused by the injection of excessive oxidizer along one side of the thrust chamber. Thrust and mass flow rate estimates obtained from the Rayleigh measurements show excellent agreement with the globally measured values.

Zupanc, Frank J.↗

Survey of Hydrogen Combustion Properties

This literature digest of hydrogen-air combustion fundamentals presents data on flame temperature, burning velocity, quenching distance, flammability limits, ignition energy, flame stability, detonation, spontaneous ignition, and explosion limits. The data are assessed, recommended values are given, and relations among various combustion properties are discussed. New material presented includes: theoretical treatment of variation in spontaneous ignition lag with temperature, pressure, and composition, based on reaction kinetics of hydrogen-air composition range for 0.01 to 100 atmospheres and initial temperatures of 0 degrees to 1400 degrees k.

Drell, Isadore L↗

Stellar Coronae: The First Twenty - Five Years

Hot X-ray emitting coronae were detected on stars other than the Sun about twenty-five years ago. Within only a few years of the first detections, the Einstein Observatory had mapped out coronal activity across the HR diagram. These observations provided the foundations for a coarse theoretical understanding of the physical mechanisms responsible for hot coronae on stars that has changed relatively little in the intervening years: plasma trapped in magnetic structures generated by dynamo processes somewhere beneath the photosphere is heated by as yet unidentified mechanisms that appear to transfer kinetic energy from underlying convective regions of the stellar envelope into the outer atmosphere. This review will describe the observational advances that have lead to some further theoretical understanding of stellar coronae, including the first results from high resolution X-ray spectroscopy obtained by Chandra and XMM-Newton, and will highlight the observational directions needed to make further progress.

Drake, Jeremy↗

Calculated rate constants for the reaction ClO + O yields Cl + O2 between 220 and 1000 deg K

Classical trajectory calculations are presented for the reaction ClO + O yields Cl + O2, a reaction which is an important step in the chlorine-catalyzed destruction of ozone which is thought to occur in the 220 and 1000 K. The calculated rate constant is 4.36 x 10 to the minus 11th power exp (-191/T)cu cm molecule (-1)s(-1) and its value at 300 K is 2.3 plus or minus 10 to the 11th power cu cm molecule (-1)s(-1), about a factor of 2 lower than recent experimental data. The empirical potential energy surface used in the calculations was constructed to fit experimental data for ClO, O2 and ClOO molecules. Other important features of this potential surface, such as the barrier to reaction, were varied systematically and calculations were performed for a range of conditions to determine the best theoretical rate constants. Results demonstrate the utility of classical trajectory methods for determining activation energies and other kinetic data for important atmospheric reactions.

Jaffee, R. L.↗

Collisional excitation of interstellar molecules - Linear molecules CO, CS, OCS, and HC3N

Rates for excitation of CO, CS, OCS, and HC3N by collisions with He atoms and H2 molecules are presented. These have been obtained from extensive theoretical calculations using methods of known reliability. In general, rates necessary for modeling interstellar molecular clouds with kinetic temperatures to 100 K have been included. Methods for fitting these rates in more compact form are discussed.

Green, S.↗

Collisional excitation of interstellar molecules - Water

Rate constants for excitation of water molecules by collisions with He atoms have been obtained from extensive theoretical calculations. For ortho-H2O, rates are presented for all spectroscopic levels below 1000/cm and for kinetic temperatures to 500 K; for para-H2O, levels below 300/cm and kinetic temperatures to 250 K are included. It is suggested that rates of excitation by collisions with hydrogen molecules are similar to those for He atoms.

Green, S.↗