Ni-dispersed fullerenes: Hydrogen storage and desorption properties

Our study shows that the H2 storage media using Ni-dispersed fullerenes could be viable alternatives to reversible hydrogen storage. It is demonstrated that a single Ni coated on the fullerene surface can store up to three H2 molecules. Consequently, at high Ni coverage, Ni-dispersed fullerenes are considered to be the novel hydrogen storage media capable of storing ~6.8 wt % H2, thus exceeding the Department of Energy target (6.5 wt %) for automobile applications. Moreover, the H2 desorption activation barrier of 11.8 kcal/mol H2 is ideal for many practical hydrogen storage applications

Medical Waste Regulation: Recommendations for Cleaning Up the Mess

In many applications, design or analysis is performed over a finite frequency range of interest. The importance of the H2/robust H2 norm highlights the necessity of computing this norm accordingly. This paper provides different methods for computing upper bounds on the robust finite-frequency H2 norm for systems with structured uncertainties. An application of the robust finite-frequency H2 norm for a comfort analysis problem of an aero-elastic model of an aircraft is also presented

Effect of the benzyl groups on the binding of H2 by three-coordinated Ti complexes

Using first-principles calculations, we investigate the adsorption of H2 molecules on a three-coordinated benzyl-decorated titanium complex suggested in a recent experiment [Hamaed et al., J. Am. Chem. Soc. 130, 6992 (2008)]. Unlike the interpretation of the experimental results that the Ti(III) complex can bind five H2 molecules via the Kubas interaction, the Ti(III) complex cannot adsorb H2 molecules via the Kubas interaction. In contrast, a benzyl-released Ti(III) complex can adsorb up to two H2 molecules with a binding energy of ~0.25 eV/H2 via the Kubas interaction, in good agreement with the measurement of ~0.2 eV. The calculated occupation number of H2 molecules at 25 oC and -78 oC under 60 atm is 0.9 and 1.9, respectively, in good agreement with the measurement of 1.1 and 2.4 near the conditions, respectively. Our results suggest that the Ti complex in experiment might be a benzyl-released form.Comment: 11 pages, 3 figures, to appear in Phys. Rev.

Near-infrared H2 and continuum survey of extended green objects. II. Complete census for the northern Galactic plane

We discuss 94 Extended Green Objects (EGOs) in the northern Galactic plane cataloged by Cyganowski et al., based on near-infrared narrow H2 (2.122 μm) and continuum observations from the United Kingdom Infrared Telescope. This data set is three times larger than the one in our previous study and is unbiased by preselection. As discussed in the previous paper, the morphologies of the 4.5 μm emission generally resemble those of the near-infrared continuum, but are different from those of the H2 emission. Of our sample, only 28% of EGOs with H2 emission show similar morphologies between 4.5 μm and H2 emission. These results suggest that the 4.5 μm emission mainly comes from scattered continuum from the embedded young stellar objects, and partially from H2 emission. About half of EGOs are associated with H2 outflows, if the H 2 outflow incompleteness is considered. The H2 outflow detection rate for EGOs with K-band detections (61%) is significantly higher than for those without K-band detections (36%). This difference may be due to the fact that both H2 and K-band emissions are associated with outflows, i.e., H2 emission and K-band continuum are associated with shocks and outflow cavities, respectively. We also compared the correlation between the H2 outflows and Class I 44 GHz methanol masers from the literature. The methanol masers can be located upstream or downstream of the H2 outflows and some bright H2 spots or outflows are not associated with methanol masers, suggesting that methanol masers and H 2 emission trace different excitation conditions. © 2013. The American Astronomical Society. All rights reserved.

Possible superfluidity of molecular hydrogen in a two-dimensional crystal phase of sodium

We theoretically investigate the ground-state properties of a molecular para-hydrogen (p-H2) film in which crystallization is energetically frustrated by embedding sodium (Na) atoms periodically distributed in a triangular lattice. In order to fully deal with the quantum nature of p-H2 molecules, we employ the diffusion Monte Carlo method and realistic semi-empirical pairwise potentials describing the interactions between H2-H2 and Na-H2 species. In particular, we calculate the energetic, structural and superfluid properties of two-dimensional Na-H2 systems within a narrow density interval around equilibrium at zero temperature. In contrast to previous computational studies considering other alkali metal species such as rubidium and potassium, we find that the p-H2 ground-state is a liquid with a significantly large superfluid fraction of ~30%. The appearance of p-H2 superfluid response is due to the fact that the interactions between Na atoms and H2 molecules are less attractive than between H2 molecules. This induces a considerable reduction of the hydrogen density which favours the stabilization of the liquid phase.Comment: 7 pages, 6 figures, submitte

Heavy hydrogen in the stratosphere

We report measurements of the deuterium content of molecular hydrogen (H2) obtained from a suite of air samples that were collected during a stratospheric balloon flight between 12 and 33 km at 40º N in October 2002. Strong deuterium enrichments of up to 400 permil versus Vienna Standard Mean Ocean Water (VSMOW) are observed, while the H2 mixing ratio remains virtually constant. Thus, as hydrogen is processed through the H2 reservoir in the stratosphere, deuterium is accumulated in H2 . Using box model calculations we investigated the effects of H2 sources and sinks on the stratospheric enrichments. Results show that considerable isotope enrichments in the production of H2 from CH4 must take place, i.e., deuterium is transferred preferentially to H2 during the CH4 oxidation sequence. This supports recent conclusions from tropospheric H2 isotope measurements which show that H2 produced photochemically from CH4 and non-methane hydrocarbons must be enriched in deuterium to balance the tropospheric hydrogen isotope budget. In the absence of further data on isotope fractionations in the individual reaction steps of the CH4 oxidation sequence, this effect cannot be investigated further at present. Our measurements imply that molecular hydrogen has to be taken into account when the hydrogen isotope budget in the stratosphere is investigated

A far UV study of interstellar gas towards HD34078: high excitation H2 and small scale structure - Based on observations performed by the FUSE mission and at the CFHT telescope

To investigate the presence of small scale structure in the spatial distribution of H2 molecules we have undertaken repeated FUSE UV observations of the runaway O9.5V star, HD34078. In this paper we present five spectra obtained between January 2000 and October 2002. These observations reveal an unexpectedly large amount of highly excited H2. Column densities for H2 levels from (v = 0, J = 0) up to (v = 0, J = 11) and for several v = 1 and v = 2 levels are determined. These results are interpreted in the frame of a model involving essentially two components: i) a foreground cloud (unaffected by HD34078) responsible for the H2 (J = 0, 1), CI, CH, CH+ and CO absorptions; ii) a dense layer of gas (n = 10E4 cm-3) close to the O star and strongly illuminated by its UV flux which accounts for the presence of highly excited H2. Our model successfully reproduces the H2 excitation, the CI fine-structure level populations as well as the CH, CH+ and CO column densities. We also examine the time variability of H2 absorption lines tracing each of these two components. From the stability of the J = 0, 1 and 2 damped H2 profiles we infer a 3 sigma upper limit on column density variations Delta(N(H2))/N(H2) of 5% over scales ranging from 5 to 50 AU. This result clearly rules out any pronounced ubiquitous small scale "density" structure of the kind apparently seen in HI. The lines from highly excited gas are also quite stable (equivalent to Delta(N)/N <= 30%) indicating i) that the ambient gas through which HD34078 is moving is relatively uniform and ii) that the gas flow along the shocked layer is not subject to marked instabilitie

Modelling Primordial Gas in Numerical Cosmology

We have reviewed the chemistry and cooling behaviour of low-density (n<10^4 cm^-3) primordial gas and devised a cooling model wich involves 19 collisional and 9 radiative processes and is applicable for temperatures in the range (1 K < T < 10^8 K). We derived new fits of rate coefficients for the photo-attachment of neutral hydrogen, the formation of molecular hydrogen via H-, charge exchange between H2 and H+, electron detachment of H- by neutral hydrogen, dissociative recombination of H2 with slow electrons, photodissociation of H2+, and photodissociation of H2. Further it was found that the molecular hydrogen produced through the gas-phase processes, H2+ + H -> H2 + H+, and H- + H -> H2 + e-, is likely to be converted into its para configuration on a faster time scale than the formation time scale. We have tested the model extensively and shown it to agree well with former studies. We further studied the chemical kinetics in great detail and devised a minimal model which is substantially simpler than the full reaction network but predicts correct abundances. This minimal model shows convincingly that 12 collisional processes are sufficient to model the H, He, H+, H-, He+, He++, and H2 abundances in low density primordial gas for applications with no radiation fields.Comment: 26 pages of text, 4 tables, and 6 eps figures. The paper is also available at http://zeus.ncsa.uiuc.edu:8080/~abel/PGas/bib.html Submitted to New Astronomy. Note that some of the hyperlinks given in the paper are still under constructio

Molecular hydrogen in damped Ly-alpha systems: clues to interstellar physics at high-redshift

In order to interpret H2 (molecular hydrogen) quasar absorption line observations of damped Ly-alpha systems (DLAs) and sub-DLAs, we model their H2 abundance as a function of dust-to-gas ratio, including H2 self-shielding and dust extinction against dissociating photons. Then, we constrain the physical state of gas by using H2 data. Using H2 excitation data for DLA with H2 detections, we derive a gas density 1.5 < log n [cm^-3] < 2.5, temperature 1.5 < log T [K] < 3, and internal UV radiation field (in units of the Galactic value) 0.5 < log \chi < 1.5. We then find that the observed relation between molecular fraction and dust-to-gas ratio of the sample is naturally explained by the above conditions. However, it is still possible that H2 deficient DLAs and sub-DLAs with H2 fractions less than ~ 10^-6 are in a more diffuse and warmer state. The efficient photodissociation by the internal UV radiation field explains the extremely small H2 fraction (< 10^-6) observed for \kappa < 1/30 (\kappa is the dust-to-gas ratio in units of the Galactic value); H2 self-shielding causes a rapid increase and the large variations of H2 abundance for \kappa > 1/30. We finally propose an independent method to estimate the star formation rates of DLAs from H2 abundances; such rates are then critically compared with those derived from other proposed methods. The implications for the contribution of DLAs to the cosmic star formation history are briefly discussed.Comment: 15 pages, 5 figures, accepted for publication in MNRA