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  • 1
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 2086-2091 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The coordination of water molecules about the Dy3+ ion in a 2.38 m DyCl3 in D2O solution has been determined by neutron scattering. The information was obtained using samples that were identical except for the isotopic species of the Dy3+ ions. The experiment yields the distribution of the deuterium and oxygen atoms in the first hydration shell. Each Dy3+ ion is surrounded by 7.4±0.5 water molecules. The dysprosium–oxygen separation is 2.37 A(ring) and the dysprosium–deuterium separation is 3.04 A(ring). The cation–water molecule orientation is closer to planar than that which has generally been observed in other aqueous solutions.
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 10998-11003 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have determined the static structure factor for a poly(ethylene oxide) (PEO) melt from neutron scattering and atomistic molecular dynamics simulations. The experimental total structure factors for protonated and deuterated samples were found to be in good agreement with simulation. The calculated partial structure functions facilitate the interpretation of features in the total radial distribution function in the 5–15 Å range and comparison is made with previous work on poly(ethylene). Using hydrogen–deuterium isotope substitution methods, the intermolecular H–H pair distribution function was determined. Unlike a previous comparison for polyethylene, only qualitative agreement between experiment and simulation for the intermolecular H–H pair distribution function was obtained. © 2001 American Institute of Physics.
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 1699-1704 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Inelastic neutron scattering was used to probe the nature of the boson peak in atactic polypropylene (aPP), head-to-head polypropylene (hhPP), polyisobutylene (PIB) and a 1/1 mass ratio hhPP/PIB blend. Atactic polypropylene is among the most "fragile" of glass formers and was found to have a shoulder rather than the distinctive peak exhibited by the other three polymers. This difference is already apparent at 15 K where relaxations are not expected to occur. The results suggest that the fragility of hhPP is intermediate between aPP and PIB. Within this group of polymers which have similar chemical structures the position of the boson peak appears to correlate with the glass transition temperature and the cohesive energy density. The possibility of a correlation with chain stiffness as expressed by the characteristic ratio is also discussed. © 1999 American Institute of Physics.
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  • 5
    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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  • 6
    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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  • 7
    ISSN: 1573-4811
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 29 (1991), S. 349-354 
    ISSN: 0887-6266
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: X-ray diffraction studies have been undertaken on aqueous solutions of hydroxy propylcellulose (HPC) over a wide range of the scattering vector Q. The experiments revealed only modest differences in local structure on a distance scale ca. 5-300 Å despite the fact that they covered concentrations generally interpreted as ranging from the isotropic (35.1 wt %) to the anisotropic liquid crystalline (LC) phase (53.5 wt %). Several models were used to interpret the small-angle scattering data, and each gave similar structural parameters and extrapolated intensities (Q → 0) for both solutions. Peaks were observed with d-spacings ca. 12-17 Å in both materials. Wide-angle x-ray scattering (WAXS) showed slightly increased local order over a size range ca. 5-20 Å for the anisotropic solution, and this is consistent with a greater intensity of the 13 Å peak in this material. It is difficult to reconcile these findings with an interpretation of the LC state involving major differences with the isotropic phase and a high degree of orientational order extending over long length scales.
    Additional Material: 9 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 2765-2774 
    ISSN: 0887-6266
    Keywords: polyaniline ; SANS ; Nylon 6 ; conducting blends ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The structure of blends of Nylon 6 with deuterated polyaniline emeraldine base (D-PANI-EB) and fully doped D-PANI salts (D-PANI-ES) formed from camphorsulfonic acid (CSA), methanesulfonic acid (MSA), or dodecyl benzenesulfonic acid (DBSA) were investigated by small-angle neutron (SANS) and X-ray scattering. The blends were formed from hexafluoro-2-propanol solutions and had volume fractions of 0.038, 0.20, and 0.40 for D-PANI/CSA, 0.20 and 0.40 for D-PANI/MSA, 0.24 and 0.44 for D-PANI/DBSA, and 0.07, 0.14, and 0.31 for D-PANI-EB. The SANS results are compared with a number of standard models for two-phase systems. No evidence was found for significant molecular mixing. In some cases the inverse power law model is in reasonable agreement with observations, and in the case of the lowest concentration of D-PANI/CSA there is an indication of mass fractal structure. This was not found at the higher concentrations. The results establish that the blends with the smaller more polar dopants CSA and MSA behave similarly and are unlike either the D-PANI/DBSA blends or those with D-PANI-EB. There is evidence that the simple picture of two pure phases is inadequate for these materials. With the exception of the D-PANI/DBSA blend which has a relatively low scattering contrast, the results indicate that the lower limit of volume fraction for application of SANS is a few percent D-PANI-ES in Nylon 6. X-ray scattering was used to demonstrate the presence of Nylon 6 lamellae and residual peaks attributable to the pure components. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2765-2774, 1997
    Additional Material: 9 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 40 (1990), S. 1693-1702 
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: An STM investigation of the surfaces of emeraldine hydrochloride films indicates that the surfaces are characterized by features that are generally fiberlike in appearance. The widths of these structures ranged from 10 to 140 nm, and the apparent heights varied from 0.5 to 70 nm. Fiber lengths of up to 1 μm were observed. In some regions, the fibers appeared to be highly interconnected in a random fashion while in others there was nearly parallel alignment.
    Additional Material: 8 Ill.
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