Intermolecular Interactions and the Thermodynamics and Kinetics of Phase Transitions in Protein Solutions
No abstract available
Vekilov, P. G.↗
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Microscopic, Microscopic, Mesoscopic and Macroscopic Length Scales in the Kinetics of Phase Transformations with Proteins
No abstract available
Vekilov, Peter G.↗
The Role of Water Structuring in the Thermodynamics and Kinetics of Phase Transitions with Protein
No abstract available
Vekilov, P. G.↗
Disequilibrium condensation environments in space - A frontier in thermodynamics
The thermal-disequilibrium aspect of the problem of dust-particle formation from a gas phase in an open space environment is discussed in an effort to draw attention to the space condensation environment as an interesting arena for application and extension of the ideas and formalisms of nonequilibrium thermodynamics. It is shown that quasi-steady states with a disequilibrium between the gas-phase kinetic temperature and the condensed-phase internal temperature appear to be the norm of condensation environments in space. Consideration of the case of condensation onto a bulk condensed phase indicates that these quasi-steady states may constitute Prigogine dissipative structures. It is suggested that a proper study of the process of condensation in a space environment should include any effects arising from thermal disequilibrium.
De, B. R.↗
Characterization and Computational Modeling of Minor Phases in Alloy LSHR
The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.
Jou, Herng-Jeng↗
Rapid laser induced energy transfer in atomic systems
Analytical and experimental studies of the rapid transfer of stored populations from metastable states to selected target states of a different species are reported. Both laser-induced or laser-switched collision and laser-induced two-photon spontaneous emission are described. It is shown that the laser-induced collision method is particularly useful in the visible and UV spectral regions. It has applications in photochemistry, gas-phase kinetics, and in high-power, high-energy gas-phase lasers. The anti-Stokes source is useful in the VUV and soft X-ray spectral regions.
Harris, S. E.↗
Solid Fuel Burning in Steady, Strained, Premixed Flow Fields: The Graphite/Air/Methane System
A detailed numerical investigation was conducted on the simultaneous burning of laminar premixed CH4/air flames and solid graphite in a stagnation flow configuration. The graphite and methane were chosen for this model, given that they are practical fuels and their chemical kinetics are considered as the most reliable ones among solid and hydrocarbon fuels, respectively. The simulation was performed by solving the quasi-one-dimensional equations of mass, momentum, energy, and species. The GRI 2.1 scheme was used for the gas-phase kinetics, while the heterogeneous kinetics were described by a six-step mechanism including stable and radical species. The effects of the graphite surface temperature, the gas-phase equivalence ratio, and the aerodynamic strain rate on the graphite burning rate and NO, production and destruction mechanisms were assessed. Results indicate that as the graphite temperature increases, its burning rate as well as the NO, concentration increase. Furthermore, it was found that by increasing the strain rate, the graphite burning rate increases as a result of the augmented supply of the gas-phase reactants towards the surface, while the NO, concentration decreases as a result of the reduced residence time. The effect of the equivalence ratio on both the graphite burning rate and NO, concentration was found to be non-monotonic and strongly dependent on the graphite temperature. Comparisons between results obtained for a graphite and a chemically inert surface revealed that the chemical activity of the graphite surface can result to the reduction of NO through reactions of the CH3, CH2, CH, and N radicals with NO.
Egolfopoulos, Fokion N.↗
Laboratory studies of chemical and photochemical processes relevant to stratospheric ozone
The purpose of this project is to reduce the uncertainty in several key gas-phase kinetic processes which impact our understanding of stratospheric ozone. The main emphasis of this work is on measuring rate coefficients and product channels for reactions of HO(sub x) and NO(sub x) species in the temperature range 200 K to 240 K relevant to the lower stratosphere. Other areas of study have included infrared spectroscopic studies of the HO2 radical, measurements of OH radical reactions with alternative fluorocarbons, and determination of the vapor pressures of nitric acid hydrates under stratospheric conditions. The results of these studies will improve models of stratospheric ozone chemistry and predictions of perturbations due to human influences. In this annual report, we focus on our recent accomplishments in the quantitative spectroscopy of the HO2 radical. This report details the measurements of the broadening coefficients for the v(sub 2) vibrational band. Further measurements of the vapor pressures of nitric acid hydrates relevant to the polar stratospheric cloud formation indicate the importance of metastable crystalline phases of H2SO4, HNO3, and H2O. Large particles produced from these metastable phases may provide a removal mechanism for HNO3 in the polar stratosphere.
Zahniser, Mark S.↗
Molybdenite in calcium-aluminum-rich inclusions in the Allende meteorite
The first observations of molybdenite in a meteorite have been made in two Ca-Al-rich inclusions in the Allende chondrite. The mineral occurs as single individuals completely enclosed in high Ni metal (62-64.5 wt. % Ni). The association with refractories is consistent with thermodynamic calculations which predict that Mo is a high temperature condensate even when nucleation constraints are imposed on the formation of a metal phase. Kinetic factors (including nucleation constraints) appear to have played an important role in the formation of molybdenite and the associated sulfides, magnetite and high nickel metal.
Fuchs, L. H.↗
Precision of NO2 photolysis rate measurements
Gas-phase kinetic calculations indicate that actinometric measurements of the rate of solar photolysis of NO2 in nitrogen can be in error by +5 to -15% or more, unless odd oxygen N2O5 chemistry, and trace oxygen content are considered. A field experiment confirms that the effect of the quartz tube on the measured photolysis rate is less than 1.7%.
Dickerson, R. R.↗
Autoignition of Fuel-Oxidizer Mixtures in Microgravity
Microgravity autoignition phenomena that may be influenced by chemically significant walls as well as by photochemically significant radiative fields are examined. First, the limitations of quasi-steady autoignition theory in providing information needed for the characterization of autoignition temperature fields are discussed. Time-dependent autoignition theory is then used to analyze the autoignition behavior of a reactive system where both wall catalysis and gas phase kinetic rates are significant. Space-time trajectories of temperature and species concentrations for such cases are presented
Berlad, A. L.↗
Photo-sensitized ignition of hydrogen/oxygen mixtures for hypersonic flight vehicles
An approach toward improving supersonic ignition and combustion efficiency was investigated under a feasibility program with NASA-Ames. The idea is to selectively irradiate targetted species in the combustion zone. The ensuing photodissociation reactions produce highly reactive radicals which modify the gas phase kinetics. The overall objective of this research was to demonstrate photosensitized ignition of H2/O2 mixtures, and to gain a preliminary understanding of the ignition mechanism, especially as it pertains to the concept of supersonic combustion. To this end, a series of experiments were performed with a model sensitizer, NO2. At subatmospheric pressures and moderate temperatures (above 100 F), mixtures of H2/O2/NO2 are ignitable by a pulsed eximer laser at 308 nm, 115 to 200 mJ. Ignitability was found to be a function of NO2 pressure, temperature, laser energy per pulse, and laser lens focal length (fluence at focal volume). Mixtures could not be ignited in the absence of the sensitizer. While increasing temperature improved sensitized ignition in the lower temperature range, a retarding effect was observed at the highest temperatures. To more thoroughly understand these thermal effects, the UV-Vis and IR spectra of NO2 and H2/O2/NO2 mixtures were studied over the temperature range 70 to 900 F. Initially, increasing temperature shifts the N2O4 in a reversible reaction to 2 NO2 equilibrium toward NO2, favoring photochemical ignition. However, at still higher temperature, NO2 converts to non-absorbing NO + 1/2 O2, thus preventing photosensitized ignition.
Lavid, Moshe↗
Radiation-Controlled, Opposed-Flow Flame Spread in a Microgravity Environment
The effects of surface and gas-phase radiation on the rate and the structure of laminar flame spread over thin fuels are investigated using a flame-spread model which consists of the continuity, momentum, species, and energy equations in the gas and the continuity and energy equations in the solid. Numerical calculations, complemented by scaling arguments, show that, at high velocities of the oxidizer flow, radiation effects are unimportant; the spread rate decreases with increasing opposing velocity due to finite-rate gas-phase kinetics. However, radiation becomes progressively important when the opposing velocity is below a certain value: the flame cools, shrinks in size, and its spread rate falls sharply with decreasing opposing velocity.
Bhattacharjee, Subrata↗
Laboratory Studies of Chemical and Photochemical Processes Relevant to Stratospheric Ozone
The purpose of this project is to reduce the uncertainty in several key gas-phase kinetic processes which impact our understanding of stratospheric ozone. The main emphasis of this work is on measuring rate coefficients and product channels for reactions of HOx and NOx species in the temperature range 200 K to 240 K relevant to the lower stratosphere. Other areas of study have included infrared spectroscopic studies of the HO radical, measurements of OH radical reactions with alternative fluorocarbons, and determination of the vapor pressures of nitric acid hydrates under stratospheric conditions. The results of these studies will improve models of stratospheric ozone chemistry and predictions of perturbations due to human influences.
Zahniser, Mark S.↗
Laboratory Studies of Chemical and Photochemical Processes Relevant to Stratospheric Ozone
The purpose of this project is to reduce the uncertainty in several key gas-phase kinetic processes which impact our understanding of stratospheric ozone. The main emphasis of this work is on measuring rate coefficients and product channels for reactions of HO(x) and NO(x) species in the temperature range 200 K to 240 K relevant to the lower stratosphere. The results of these studies will improve models of stratospheric ozone chemistry and predictions of perturbations due to human influences. The second year's effort has focussed the design and construction of the proposed high pressure flow reactor on three separate areas: (1) the construction of the high pressure flow reactor; (2) characterization of the turbulent flow profile; and (3) demonstration of the instrument by measuring HO2 + NO2 and HO2 + NO reaction rate coefficients.
Villalta, Peter W.↗
34th JANNAF Combustion Subcommittee Meeting: MURI Technology - Volume 2
This volume is a compilation of 48 unclassified/unlimited distribution papers presented at the 1997 meeting of the JANNAF 34th Combustion Subcommittee (CS) held jointly with the Propulsion Systems Hazards Subcommittee (PSHS), and the Airbreathing Propulsion Subcommittee. Proceedings of the CS, PSHS and APS meetings are published separately by CPIA. The CS Meeting Proceedings are published in four volumes. The JANNAF papers contained in this volume contributed to the Second Year Progress Review of the Multidisciplinary University Research Initiative Program (MURI) on 'Novel New Ingredients to Stabilize Rocket Motors'. Technical progress made on this program was presented as JANNAF CS papers contained in Volumes 2 and 4. Papers contained in this volume review bi-plateau propellant combustion, AP and metal combustion, solid propellant combustion instability fundamentals and motor applications, gas-phase and condensed-phase kinetics, and measurement techniques.
Fry, Ronald S.↗