Similarity in confined vortex flows
Vortex flow of dissimilar fluids under conditions of exact geometric similarity using diatomic gases nitrogen and hydrogen - fluid mechanics
GAS FLOW↗
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Simulation of flat-plate turbulent boundary layers in cryogenic tunnels
The magnitudes of real-gas effects on flat-plate turbulent boundary layer simulations in a cryogenic nitrogen wind tunnel are investigated in order to determine the validity of the method used by Inger (1979) to estimate real-gas effects. Boundary layer solutions for real gases, ideal gases with a specific heat ratio of 1.6 and ideal diatomic gases (specific heat ratio 1.4) were obtained for the worst case conditions of maximum stagnation pressure (9 atm), minimum stagnation temperature (120 K) and Mach number of 1.2. Calculated boundary layer parameters such as friction coefficient and displacement thickness are shown to agree closely for the real gas and the ideal diatomic gas (specific heat ratio 1.4), while the ideal gas solution used by Inger is shown to differ from the real-gas values considerably. Results indicate that real-gas effects on a flat-plate turbulent boundary layer simulation in a cryogenic nitrogen tunnel are insignificant, and suggest the unlikelihood of the large real-gas effects reported by Inger for turbulent boundary layer shock interactions.
Adcock, J.↗
High-speed leading edge problem.
The sharp leading edge problem has been studied for both monatomic and diatomic gases using the Boltzmann equation with the Bhatnagar-Gross-Krook type models as the governing equation and the discrete ordinate method with a closed-boundary value approach as a tool. Plate length relative to the freestream mean free path is taken to be 52. The gas-surface interaction law is assumed to be diffuse reflection. The local distribution functions of molecular velocities and internal energies (for the diatomic gas) for the entire flowfield have been calculated for a freestream Mach number of 6.1. Comparisons are made between the calculated results and experimental data.
Huang, A. B.↗
Comparison of Designs of Hydrogen Isotope Separation Columns by Numerical Modeling
Mixtures of gas-phase hydrogen isotopologues (diatomic combinations of protium, deuterium, and tritium) can be separated using columns containing a solid such as palladium that reversibly absorbs hydrogen. A temperature-swing process can transport hydrogen into or out of a column by inducing temperature-dependent absorption or desorption reactions. Here, we consider two designs: a thermal cycling absorption process, which moves hydrogen back and forth between two columns, and a simulated moving bed (SMB), where columns are in a circular arrangement. We present a numerical mass and heat transport model of absorption columns for hydrogen isotope separation. It includes a detailed treatment of the absorption–desorption reaction for palladium. By comparing the isotope concentrations within the columns as a function of position and time, we observe that SMB can lead to sharper separations for a given number of thermal cycles by avoiding the remixing of isotopes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Sequential optical response suppression for chemical mixture characterization
The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the gas phase, as well as solid-state materials composed of a mixture of components. A set of numerical analyses are presented, showing strong performance in both settings.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Calculations of the interactions of diatomic molecules with solid surfaces
Calculations of interactions of diatomic molecules with solid surfaces
GAS-METAL INTERACTION↗
Neutral Gas Temperature Estimates in an Inductively Coupled CF4 Plasma by Fitting Diatomic Emission Spectra
This work examines the accuracy of plasma neutral temperature estimates by fitting the rotational band envelope of different diatomic species in emission. Experiments are performed in an inductively coupled CF4 plasma generated in a Gaseous Electronics Conference reference cell. Visible and ultraviolet emission spectra are collected at a power of 300 W (approximately 0.7 W/cc) and pressure of 30 mtorr. The emission bands of several molecules (CF, CN, C2, CO, and SiF) are fit simultaneously for rotational and vibrational temperatures and compared. Four different rotational temperatures are obtained: 1250 K for CF and CN, 1600 K for CO, 1800 K for C2, and 2300 K for SiF. The vibrational temperatures obtained vary from 1750-5950 K, with the higher vibrational temperatures generally corresponding to the lower rotational temperatures. These results suggest that the different species have achieved different degrees of equilibration between the rotational and vibrational modes and may not be equilibrated with the translational temperatures. The different temperatures are also related to the likelihood that the species are produced by ion bombardment of the surface, with etch products like SiF, CO, and C2 having higher temperatures than species expected to have formed in the gas phase.
Cruden, Brett A.↗
A charged diatomic triple-bonded U≡N species trapped in C 82 fullerene cages
Actinide diatomic molecules are ideal models to study elusive actinide multiple bonds, but most of these diatomic molecules have so far only been studied in solid inert gas matrices. Herein, we report a charged U≡N diatomic species captured in fullerene cages and stabilized by the U-fullerene coordination interaction. Two diatomic clusterfullerenes, viz. UN@C s (6)-C 82 and UN@C 2 (5)-C 82 , were successfully synthesized and characterized. Crystallographic analysis reveals U-N bond lengths of 1.760(7) and 1.760(20) Å in UN@C s (6)-C 82 and UN@C 2 (5)-C 82 . Moreover, U≡N was found to be immobilized and coordinated to the fullerene cages at 100 K but it rotates inside the cage at 273 K. Quantum-chemical calculations show a (UN) 2+ @(C 82 ) 2- electronic structure with formal +5 oxidation state (f 1 ) of U and unambiguously demonstrate the presence of a U≡N bond in the clusterfullerenes. This study constitutes an approach to stabilize fundamentally important actinide multiply bonded species.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Time-dependent wave-packet method for the complete determination of S-matrix elements for reactive molecular collisions in three dimensions
An alternative time-dependent wave-packet method for treating three-dimensional gas phase reactive atom-diatom collisions is presented. The method employs a nonreactive body-frame wave packet propagation procedure, made possible by judicious use of absorbing optical potentials, a novel scheme for interpolating the wave function from coordinates in one arrangement to those in another and the fact that the time-dependent Schroedinger equation is an initial-value problem. The last feature makes possible a computationally viable and accurate procedure for changing from one arrangement's coordinates to another. In addition, the method allows the determination of S-matrix elements over a wide range of energies from a single wave-packet propagation. The method is illustrated by carrying out detailed calculations of inelastic and reactive scattering in the H + H2 system using the Liu-Siegbahn-Truhlar-Horowitz potential surface.
Judson, Richard S.↗
Reduced Gravity Studies of Soret Transport Effects in Liquid Fuel Combustion
Soret transport, which is mass transport driven by thermal gradients, can be important in practical flames as well as laboratory flames by influencing transport of low molecular weight species (e.g., monatomic and diatomic hydrogen). In addition, gas-phase Soret transport of high molecular weight fuel species that are present in practical liquid fuels (e.g., octane or methanol) can be significant in practical flames (Rosner et al., 2000; Dakhlia et al., 2002) and in high pressure droplet evaporation (Curtis and Farrell, 1992), and it has also been shown that Soret transport effects can be important in determining oxygen diffusion rates in certain classes of microgravity droplet combustion experiments (Aharon and Shaw, 1998). It is thus useful to obtain information on flames under conditions where Soret effects can be clearly observed. This research is concerned with investigating effects of Soret transport on combustion of liquid fuels, in particular liquid fuel droplets. Reduced-gravity is employed to provide an ideal (spherically-symmetrical) experimental model with which to investigate effects of Soret transport on combustion. The research will involve performing reduced-gravity experiments on combustion of liquid fuel droplets in environments where Soret effects significantly influence transport of fuel and oxygen to flame zones. Experiments will also be performed where Soret effects are not expected to be important. Droplets initially in the 0.5 to 1 mm size range will be burned. Data will be obtained on influences of Soret transport on combustion characteristics (e.g., droplet burning rates, droplet lifetimes, gas-phase extinction, and transient flame behaviors) under simplified geometrical conditions that are most amenable to theoretical modeling (i.e., spherical symmetry). The experiments will be compared with existing theoretical models as well as new models that will be developed. Normal gravity experiments will also be performed.
Shaw, Benjamin D.↗
Equilibrium properties of chemically reacting gases
The equilibrium energy, enthalpy, entropy, specific heat at constant volume and constant pressure, and the equation of state of the gas are all derived for chemically reacting gas mixtures in terms of the compressibility, the mol fractions, the thermodynamic properties of the pure gas components, and the change in zero point energy due to reaction. Results are illustrated for a simple diatomic dissociation reaction and nitrogen is used as an example. Next, a gas mixture resulting from combined diatomic dissociation and atomic ionization reactions is treated and, again, nitrogen is used as an example. A short discussion is given of the additional complexities involved when precise solutions for high-temperature air are desired, including effects caused by NO produced in shuffle reactions and by other trace species formed from CO2, H2O and Ar found in normal air.
Source record↗
Nondispersive infrared analyzer for specific gases in complex mixtures
Analyzer identifies and measures particular diatomic or polyatomic gases in complex gas mixtures. Mixing of absorption effects on light energy passing through gases to photodetector produces a signal component that is related to the absorption caused by reference-gas component in unknown gas mixture.
Dimeff, J.↗
EXPERIMENTAL STUDIES OF VIBRATIONAL AND DISSOCIATIVE NONEQUILIBRIUM IN EXPANDED GAS FLOWS
Shock-tube studies of the supersonic nozzle expansion of diatomic gases, to analyze vibrational and dissociative nonequilibrium
NOZZLE EXPANSION↗
Equilibrium gas flow computations. I - Accurate and efficient calculation of equilibrium gas properties
This paper treats the accurate and efficient calculation of thermodynamic properties of arbitrary gas mixtures for equilibrium flow computations. New improvements in the Stupochenko-Jaffe model for the calculation of thermodynamic properties of diatomic molecules are presented. A unified formulation of equilibrium calculations for gas mixtures in terms of irreversible entropy is given. Using a highly accurate thermo-chemical data base, a new, efficient and vectorizable search algorithm is used to construct piecewise interpolation procedures with generate accurate thermodynamic variable and their derivatives required by modern computational algorithms. Results are presented for equilibrium air, and compared with those given by the Srinivasan program.
Liu, Yen↗
Diatom influence on the production characteristics of hydrate-bearing sediments: Examples from Ulleung Basin, offshore South Korea
The Ulleung Basin Gas Hydrate field expeditions in 2007 (UBGH1) and 2010 (UBGH2) sought to assess the Basin's gas hydrate resource potential. Coring operations in both expeditions recovered evidence of gas hydrate, primarily as fracture-filling (or vein type) morphologies in mainly silt-sized, fine-grained sediment, but also as pore-occupying hydrate in the coarser-grained layers of interbedded sand and fine-grained systems. A commonality across many of these occurrences is the presence of diatoms in the fine-grained sediment. Here we tested fine-grained sediment (median grain size <12.5 μm) associated with hydrate occurrences at four UBGH2 sites (UBGH2-2-2, UBGH2-3, UBGH2-6 and UBGH2-11) to investigate potential impacts of diatoms on efforts to extract methane from hydrate, or to tap hydrocarbon reservoirs beneath hydrate-bearing sediment. Two key considerations are: the extent to which diatoms control sediment mechanical properties, and the extent to which pore-water freshening, which occurs as gas hydrate breaks down during resource extraction, alters the diatom control on sediment mechanical properties. We conducted experiments to measure sediment index properties, sedimentation behavior and compressibility to address these considerations. We relied on scanning electron microscope (SEM) imagery and X-ray powder diffraction (XRD) to characterize the sediment mineralogy. Our high-level findings are that at the ~20–45% (by volume) diatom concentrations observed at these UBGH2 sites, sediment compressibility increases with diatom content, but diatoms only appear to increase porosity and permeability at the highest diatom concentration (~45%). Our measurements suggest in situ compression indices of 0.35–0.55 and permeabilities on the order of 0.01milliDarcies (1 × 10 -17 m 2 ) can be anticipated at these sites. Importantly, these properties are not expected to vary significantly upon pore water freshening that accompanies gas hydrate dissociation during production.
58 GEOSCIENCES↗
Predissociation-based measurements of bond dissociation energies: US 2 , OUS, and USe
The uranium-containing molecules US 2 , OUS, and USe have been investigated using a pulsed laser ablation supersonic beam molecular source with time-of-flight mass spectrometric detection. Spectra have been recorded using the resonant two-photon ionization method over the spectroscopic range from 277 to 238 nm. These species have a myriad of excited electronic states in this spectroscopic region, leading to spectra that are highly congested and appear quasicontinuous. Sharp predissociation thresholds are observed, allowing precise bond dissociation energies to be measured. In the case of the triatomic molecules, it was necessary to use one laser for excitation and a delayed laser for ionization in order to observe a sharp predissociation threshold that allowed a precise bond dissociation energy to be measured. The resulting thermochemical values are D 0 (SU-S) = 4.910 ± 0.003 eV, D 0 (OU-S) = 5.035 ± 0.004 eV, and D 0 (USe) = 4.609 ± 0.009 eV. These results provide the first measurement of D 0 (USe) and reduce the error limits in the previous values of D 0 (SU-S) and D 0 (OU-S) by a factor of more than 70.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Feasibility of Rayleigh Scattering Flow Diagnostics in the National Transonic Facility
Laser-based Rayleigh light scattering (RLS) was performed in the National Transonic Facility (NTF) at NASA Langley Research Center. The goal was to determine if the free-stream flow undergoes clustering (early stage of condensation from gas to liquid) or remains in a pure diatomic molecular phase. Data indicate that clusters are not observable down to levels of 10% of the total light scatter for a variety of total pressures at one N2 cryogenic-mode total temperature (Tt = -50 F = 227 K) and one air-mode temperature (Tt = +130 F = 327 K). Thus RLS appears viable as a qualitative or quantitative diagnostic for flow density in NTF in the future. Particles are distinguished from optically unresolvable clusters because they are much larger and individually resolvable in the laser beam image with Mie scattering. The same RLS apparatus was also used, without modification, to visualize naturally occurring particles entrained in the flow for both cryogenic and air-modes. Estimates of the free-stream particle flux are presented, which may be important for interpretation of laminar-to-turbulent boundary-layer transition studies. 1
Herring, Gregory C.↗