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  • 1
    Electronic Resource
    Electronic Resource
    Tetrapentylammonium bromide in 2-propanol: vapor pressure and small-angle neutron scattering measurements (1992)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 96 (1992), S. 2743-2749 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100185a063
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  • 2
    Electronic Resource
    Electronic Resource
    Neutron depolarization in reentrant spin glasses Ni1−xMnx (1990)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 67 (1990), S. 5232-5234 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Polarization analysis of the transmitted beam was performed using a pulsed neutron source in a reentrant spin-glass (RSG) system Ni1−xMnx, for a concentration range (0.23≤x≤0.28) encompassing the critical concentration. The same samples were previously used to determine the magnetic phase diagram by magnetization measurements. The polarization P was measured as a function of temperature (15≤T≤300 K), neutron wavelength (3≤λ≤10 A(ring)) and applied field (7 Oe≤H≤125 Oe). Unlike other RSG systems, P measured in a 7 Oe field decreases at all temperatures below the Curie temperature even for the samples close to the critical concentration. The wavelength dependence of the polarization indicates the existence of magnetic domains whose size δ decreases with increasing x from a few tenths of micrometers at x=0.23 to a few thousands of angströms at x=0.25. No depolarization occurs for x〉0.25. As shown for x=0.23, the irreversibilities of the polarization, which depends on the cooling conditions, indicate that the domain arrangement freezes at low temperature. Clearly, in NiMn, the drop of the susceptibility at low temperature does not result from a decrease of the size or magnetization of the domains but from a slowing down of their mobility.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.344620
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  • 3
    Electronic Resource
    Electronic Resource
    The charge structure factor of a 1-1 electrolyte in solution (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7034-7038 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The charge structure factor of a 1-1 electrolyte solution has been measured by means of small angle neutron scattering. To this end the system was chosen so as to achieve a zero average contrast for the salt. The data are used to test the Stillinger and Lovett sum rules, and also to test the modelization of the solution structure including short range as well as Coulombic interactions. This modelization is based on the hypernetted chain integral equation and on suitable solvent-averaged pair potentials. At small values of wave number transfer, the experimental results are compared to a new approximation for the charge structure factor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462853
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  • 4
    Electronic Resource
    Electronic Resource
    Pair correlation functions of uncharged and weakly charged Brownian particles (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 5647-5652 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Small-angle neutron scattering measurements are reported for solutions of cryptand 222 and cryptates K+222, ClO4− and Ba2+222, 2ClO4− in deuterated acetonitrile at 25 °C. Solute–solute correlation functions are inferred from the experimental scattering spectra by means of hypernetted chain (HNC) calculations with semiempirical solvent-averaged potentials. Due to their specific structure, cryptands and their complexes are convenient models for uncharged and weakly charged Brownian particles.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463773
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  • 5
    Electronic Resource
    Electronic Resource
    Structure of nonaqueous electrolyte solutions by small-angle neutron scattering, hypernetted chain, and Brownian dynamics (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 2367-2373 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Small-angle neutron scattering from solutions of n-tetrapentylammonium bromide in deuterated acetonitrile was studied at room temperature for concentrations between 0.17 and 1.01 M. The hypernetted chain (HNC) integral equation with solvent-averaged pair potentials was used to describe both the scattering spectra and the osmotic coefficient of the nondeuterated solutions. It is shown that the so-called Friedman–Gurney potential can be replaced by a simple soft sphere potential in order to reproduce the scattering data. The results give a new insight into the structure and the distribution of ions. Within statistical uncertainties Brownian dynamics simulations for the same pair potentials lead to correlation functions similar to those given by HNC.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457978
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  • 6
    Electronic Resource
    Electronic Resource
    Dynamics and spatial correlations of tetrapentylammonium ions in acetonitrile (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6902-6910 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quasielastic neutron scattering (QENS) spectra were measured for a 0.43 M solution of n-tetrapentylammonium bromide in deuterated acetonitrile at 25 °C, 5 °C, and −15 °C. Values of the translational diffusion coefficient of the cations were inferred from these data using a simple model of translation and rotation. These values are significantly higher than the ones obtained by nuclear magnetic resonance (NMR) spin–echo measurements. The difference can be explained by the different time scales covered by QENS and NMR. QENS shows essentially the contribution of a second order electrophoretic effect to the diffusion coefficient whereas NMR encompasses both electrophoretic and relaxation effects. Consequently, the combination of both techniques allows the two effects to be separated. The relaxation contribution to the diffusion coefficient was calculated by brownian dynamics simulation and compared to the experimental results. The solvent-averaged ion pair potentials used for this computation were simultaneously adjusted to the thermodynamic and to the small-angle neutron scattering data by means of hypernetted chain (HNC) calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461502
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  • 7
    Electronic Resource
    Electronic Resource
    Dynamics of liquid acetonitrile at high frequencies (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 2079-2082 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quasielastic neutron scattering spectra were measured for pure acetonitrile at 25 °C. In the framework of a simple model of translation and rotation, it was found that the short-time self-diffusion coefficient of liquid acetonitrile is similar to the long-time one measured by NMR. As far as the rotational motion is concerned, the characteristic time was found to be close to the typical value of the molecule spinning motion. The complete inelastic and quasielastic spectra may be further used to check the results of molecular dynamics simulations of acetonitrile.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465273
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  • 8
    Electronic Resource
    Electronic Resource
    Molecular solvent model for a cryptate solution in acetonitrile: A hypernetted chain study (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 554-577 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Hypernetted chain calculations are reported for pure liquid acetonitrile and for a 0.39 M acetonitrile solution of cryptate K+ 222, ClO−4. The obtained molecular correlations between solvent and solute particles are discussed in detail. It is found that the acetonitrile correlations are very similar in the pure liquid and in the solution. The solvation geometries around the cations and the anions are surprisingly unsymmetric and hence far from the picture which chemists currently use to describe ionic solvation. The theoretical results are compared to available wide-angle neutron scattering data for the pure liquid and to small-angle neutron scattering data for the cryptate solution. To our knowledge, this is the first integral equation study of molecular correlations in a real nonaqueous electrolyte solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468165
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  • 9
    Electronic Resource
    Electronic Resource
    Small-angle neutron scattering: A critical study of the contrast approximation (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 578-584 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A recent hypernetted chain study has yielded molecular correlations functions of a nonaqueous electrolyte solution. In the present paper these functions are taken to calculate small-angle neutron scattering intensities of this solution in the framework of the so-called "contrast-approximation'' commonly used for the interpretation of this kind of experiments. A comparison of this result to a rigorous calculation of the total scattering cross section reveals serious inconsistencies, even at very small scattering angles. Therefore the question is raised as to whether the contrast approximation can give a realistic description of small-angle scattering data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468166
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  • 10
    Electronic Resource
    Electronic Resource
    Erratum: The charge structure factor of a 1-1 electrolyte in solution [J. Chem. Phys. 96, 7034 (1992)] (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 1755-1755 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465124
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