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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 8786-8791 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Three polyethylene samples, which differed in their degree of deuteration, were studied in neutron diffraction isotopic substitution (NDIS) experiments at 428 K. These results were complemented at small wavevectors by small angle neutron measurements. The intermolecular hydrogen–hydrogen (HH) structure function, hHH(Q), was obtained without recourse to intramolecular structure models, as demonstrated in a prior report. The PE experimental results are compared to computer simulation results for the alkanes C100 at 509 K and C44 at 350, 400, and 450 K. The small temperature dependence of the HH intermolecular radial distribution functions, gHH(r) for C44 indicates that the differences observed between the PE, C100, and C44 (450 K) results are, for the most part, not due to just temperature differences. It is shown that the string model, an analytic result from an integral equation theory of polymers (PRISM), can account approximately for the overall shape of the gHH(r) functions, and that this overall shape is dependent on the radius of gyration of the molecule. Further analysis shows that there are two other contributions to gHH(r), both of which are independent of chain length to first order. The first is due to chain–chain packing, and the second is due to local HH intermolecular correlations. These results are significant because they demonstrate that hHH(Q) is a useful function for studying intermolecular polymer structure, which has been shown to underpin phase behavior in polyolefin blends. © 1999 American Institute of Physics.
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 7868-7872 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Neutron diffraction isotopic substitution experiments on liquid n-decane (C10H22) and n-eicosane (C20H42) are described. The intermolecular H–H structure function hHH(Q) and the intermolecular H–H correlation function ginterHH(r) are obtained without recourse to models of the intramolecular structure. The structure of the ginterHH(r) found at 2.5, 5.0, and 7.0 A(ring) corresponds to different shells in the H–H pair correlation function. In addition, ginterHH(r)〈1 for a considerable range, due to the screening of intermolecular correlations by intramolecular correlations. This "correlation hole'' effect is accentuated by extrapolation of the structure functions to the expected infinite wavelength limit, and shows good agreement with values determined from small-angle neutron scattering (SANS) data. All of these features are in good agreement with the results of molecular dynamics simulations for the closely related system C13H28.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 64 (1993), S. 200-202 
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A cryogenic apparatus has been developed for neutron scattering and phase equilibrium studies on supercritical inert gas mixtures. Scattering and phase equilibrium studies can be performed in the same apparatus; the whole apparatus is transportable to any scattering facility. It centers on a stirred, batch, view cell of unique design. By changing only three parts of simple design (two windows, one sample cylinder) to an appropriate material, this apparatus can be used for studies involving wide or small angle scattering of neutrons or x rays. Its use can also be extended to pure fluids, liquids, and states away from the critical point. It operates within pressure and temperature ranges of 0–13.8 MPa and 20–300 K. To our knowledge this is the first neutron scattering cell with axial fluid mixing and with a temperature gradient of 10 mK or less over a large sample volume (1-cm diameter, 5-cm long). The accuracy and performance of the apparatus was tested on pure neon by reproducing its saturation curve and by performing small angle neutron scattering on some supercritical states.
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 4878-4888 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Detailed structural studies using powder neutron diffraction have been carried out on ices III and IX on both under-pressure and recovered samples. The incomplete hydrogen ordering in recovered ice IX first observed by La Placa et al. is confirmed, and our studies suggest similar orderings for the under-pressure and recovered phases. Sample history was observed to influence the lattice constants of ice IX, an effect which could relate to hydrogen ordering. There is an indication that ice III is not fully disordered, a conclusion which would be consistent with independent thermodynamic measurements.
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 466-470 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Small angle neutron scattering (SANS) results are presented for states of neon close to the critical isochore and supercritical temperatures between 47 and 60 K. The net intensities were converted to absolute units of differential cross section per unit sample volume by comparison with precalibrated secondary standards. The values of the differential cross section at zero scattering vector are in excellent agreement with values calculated from an equation of state. Evidence of three-body forces in these data are compared to that present in Krypton data reported earlier. It is concluded that small angle experiments of the sort reported here should be repeated for the heavier noble gases, for which effects from three-body forces are anticipated to be larger.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 6770-6775 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Inelastic incoherent neutron scattering (IINS) cross sections have been measured for the recovered high-pressure phases of ice, ices II, V, VI, and IX (H2O) and ices II and IX (D2O) in the energy range from 2 to 150 meV at 20 K using the TFXA (time-focused crystal analyzer) neutron spectrometer on the ISIS pulsed neutron source at the Rutherford-Appleton Laboratory. The excellent resolution of the TFXA (less than 2%) covers the whole range of translational and librational modes for the ices investigated and enables us to identify the fine structures in their spectra. Hence a direct comparison between the amplitude-weighted phonon density of states derived from the experimental spectrum and from a lattice dynamic calculation is possible [E. Whalley and J. E. Bertie, J. Chem. Phys. 46, 1271 (1967); J. E. Bertie and E. Whalley, ibid. 40, 1646 (1964)]. The spectra from these polymorphic ices show many new features in the translational region, which are not visible using infared and Raman techniques. In the librational band region, the general features vary remarkably between phases. Thus, for instance, ice II, in which the protons are ordered, shows more structure in this region and has a sharper low-energy cutoff than do the other phases examined. The most significant observation is that the low-energy cutoff is characteristic of the phase. Relative to ice Ih, there is a shift of 4.3 meV for ice IX, of 8.8 meV for ice II, 8.6 meV for ice V, and 12.2 meV for ice VI.
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  • 7
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 9
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 843-846 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: SANS experiments on blends of linear, high density (HD) and long chain branched, low density (LD) polyethylenes indicate that these systems form a one-phase mixture in the melt. However, the maximum spatial resolution of pinhole cameras is ∼103Å and it has therefore been suggested that data might also be interpreted as arising from a bi-phasic melt with large a particle size (∼1µm), because most of the scattering from the different phases would not be resolved. We have addressed this hypothesis by means of USANS experiments, which confirm that HDPE/LDPE blends are homogenous in the melt on length scales up to 20µm. We have also studied blends of HDPE and short-chain branched linear low density polyethylenes (LLDPEs), which phase separate when the branch content is sufficiently high. LLDPEs prepared with Ziegler-Natta catalysts exhibit a wide distribution of compositions, and may therefore be thought of as a "blend" of different species. When the composition distribution is broad enough, a fraction of highly branched chains may phase separate on µm-length scales, and USANS has also been used to quantify this phenomenon.
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