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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.
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Hydrogen gas pressure requirements during pressurization and transfer of liquid hydrogen from spherical tanks
Absorption of hydrogen by palladium and electrical resistivity of hydrogen-palladium system
Multiple velocity dispersion in normal hydrogen and normal hydrogen-helium mixtures at room temperature using ultrasonic interferometer
Hydrogen-hydrogen excitation collisions by impact parameter treatment, investigating rotation coupling influence in four state cross sections approximation
Hydrogen-hydrogen double excitation collision cross sections computed by impact parameter method, using Born and two state approximations
Quadrupole coupling between single and double excitation channels in hydrogen-hydrogen collisions found ineffective due to energy defect between channels
Flux, energy spectra, and pitch angle distributions of precipitated low energy hydrogen and electrons from Nike-Tomahawk auroral hydrogen experiment
Ab initio calculations on trajectories and nonadiabatic transitions in reactions of hydrogen atomic ions with hydrogen molecules
A one-megawatt wind energy source is assumed that uses half of its output to serve customers as electricity, and stores the other half by conversion to hydrogen, to liquid hydrogen, to stored LH2, and back to electricity. Energy costs and capital costs of the conversions escalate unit costs to 12.9 cents per kilowatt hour. High conversion costs can be reduced by using Mg2NiH4 and FeTiH2 storage, or by using a 100- or 1000 megawatt system.
Rate constants for rotational excitation of hydrogen molecules by collisions with hydrogen atoms have been obtained from quantum-mechanical calculations for kinetic temperatures between 100 and 5000 K. These calculations involve the rigid-rotator approximation, but other possible sources of error should be small. The calculations indicate that the early values of Nishimura are larger than accurate rigid-rotator values by about a factor of 20 or more.
Successful IUE observations of the equatorial sunlit atmosphere of Jupiter and Saturn have been obtained. Spectra containing atomic and molecular hydrogen and solar reflection continuum emissions have been analyzed, with the purpose of determining the long term temporal behavior of the electroglow process. Quantitative estimates have been established for the first time using a model analysis of the short wavelength region of the spectrum. Both systems show varying degrees of long term variability in hydrogen emission rate, but the time scale is too short to determine whether there is a dependence on solar cycle activity. As part of the emission modeling program, a preliminary point source spreading function for the IUE SWP instrument has been established, suggesting a wavelength dependence in spectral line width different from previous analyses. Further IUE observations are planned for both Jupiter and Saturn.
Binary platinum alloys are being developed as hydrogen electrocatalysts for use in a hydrogen bromide battery system. These alloys were varied in terms of alloy component mole ratio and heat treatment temperature. Electrocatalyst evaluation, performed in the absence and presence of bromide ion, includes floating half cell polarization studies, electrochemical surface area measurements, X ray diffraction analysis, scanning electron microscopy analysis and corrosion measurements. Results obtained to date indicate a platinum rich alloy has the best tolerance to bromide ion poisoning.
Fully nonadiabatic g-mode pulsation calculations have been obtained for evolutionary models of planetary nebula nuclei (PNN) with active hydrogen-burning shells. Expressions have been developed for the phase delays which can develop between the temperature variations and the abundance variations of agents in the CN cycle. G-mode instabilities are noted that are driven by the epsilon mechanism at the position of the nuclear burning shells in standard PNN models. The results indicate that the central stars do not retain sufficient hydrogen to support nuclear burning following ejection of the planetary nebula.
Simulations of the evolution of stratospheric distributions of hydrogen chloride (HCl) and hydrogen fluoride (HF) have been carried out for the period of the Airborne Arctic Stratospheric Expedition (AASE) with a three-dimensional chemistry-transport model. Simulations were performed assuming only homogeneous gas phase chemistry for HF and both homogeneous gas phase and heterogeneous chemistry for HCl. Results show heterogeneous loss of HCl is needed to provide agreement with infrared column measurements. Estimates of the impact of heterogeneous loss on the global HCl distribution are obtained from the model. Reductions of HCl due to heterogeneous loss are calculated to be localized to regions of high vorticity, even after more than a month of integration.
Liquid hydrogen will continue to be an integral element in virtually every major space program, and it has also become a significant merchant product for certain commercial markets. Liquid hydrogen is not a universally available commodity, and the number of supply sources historically have been limited to regions having concentrated consumption patterns. With the increased space program activity it becomes necessary to assess all future programs on a collective and unified basis. An initial attempt to identify projected requirements on a long range basis is presented.
Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF)n with n=3,4 and mixed clusters of hydrogen fluoride with water (HF)n(H2O)n where n=1,2. For the (HF)4(H2O)4 complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Potential energy surfaces for these systems are obtained at the MP2/TZP level of electronic structure theory. Vibrational states are calculated from the potential surface points using the correlation-corrected vibrational self-consistent field (CC-VSCF) method. The method accounts for the anharmonicities and couplings between all vibrational modes and provides fairly accurate anharmonic vibrational spectra that can be directly compared with experimental results without a need for empirical scaling. For (HF)n, good agreement is found with experimental data. This agreement shows that the MP2 potential surfaces for these systems are reasonably reliable. The accuracy is best for the stiff intramolecular modes, which indicates the validity of MP2 in describing coupling between intramolecular and intermolecular degrees of freedom. For (HF)n(H2O)n experimental results are unavailable. The computed intramolecular frequencies show a strong dependence on cluster size. Intensity features are predicted for future experiments.
As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.
Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF)n, with n = 3, 4 and mixed clusters of hydrogen fluoride with water (HF)n(H2O)n where n = 1, 2. For the (HF)4(H2O)4 complex, the vibrational spectra are calculated at the harmonic level, and anharmonic effects are estimated. Potential energy surfaces for these systems are obtained at the MP2/TZP level of electronic structure theory. Vibrational states are calculated from the potential surface points using the correlation-corrected vibrational self-consistent field method. The method accounts for the anharmonicities and couplings between all vibrational modes and provides fairly accurate anharmonic vibrational spectra that can be directly compared with experimental results without a need for empirical scaling. For (HF)n, good agreement is found with experimental data. This agreement shows that the Moller-Plesset (MP2) potential surfaces for these systems are reasonably reliable. The accuracy is best for the stiff intramolecular modes, which indicates the validity of MP2 in describing coupling between intramolecular and intermolecular degrees of freedom. For (HF)n(H2O)n experimental results are unavailable. The computed intramolecular frequencies show a strong dependence on cluster size. Intensity features are predicted for future experiments.