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  • 1
    Electronic Resource
    Electronic Resource
    X-ray and neutron scattering studies of the structure of hyperquenched glassy water (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 1282-1286 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: X-ray and neutron diffraction measurements were performed on glassy water prepared by rapid cooling of water droplets on a cryoplate. Structure factors and radial distribution functions were found to be nearly identical to those obtained from amorphous ice formed either by vapor deposition onto substrates cooled at 77 K or after heating the high-density amorphous ice.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463254
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  • 2
    Electronic Resource
    Electronic Resource
    On the structure and dynamics of lithium counterions in polyelectrolyte solutions: A nuclear magnetic resonance and neutron scattering study (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 6709-6715 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure around lithium counterions in polyacrylate solutions has been investigated by neutron diffraction, and it is concluded that small cations remain hydrated when they accumulate around a highly charged polymer. Interactions between the polyion and the counterions over a range outside the hydration shell are also observed. The relaxation rate of 7Li due to dipolar coupling to 17O was obtained by nuclear magnetic resonance. The results indicate that the polyion exerts a moderate influence on the reorientational dynamics of the lithium aqua-ion.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456290
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  • 3
    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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  • 4
    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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  • 5
    Electronic Resource
    Electronic Resource
    Structural study of water confined in porous glass by neutron scattering (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 4246-4252 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In order to study the structural properties of water at interfaces, we performed neutron scattering experiments of water confined inside interconnected pores of Vycor glass. The structure factors and the corresponding radial distribution functions of the confined water have been determined as a function of temperature from 35 °C down to −100 °C and for two levels of hydration of the glass (full and partial hydration). At 27 °C, the structure factor of confined water is very similar to that of bulk water. When decreasing the temperature, we show that it is possible to supercool water inside pores of Vycor but not to the extent expected for such a small confining space. In fact the presence of large hydrophilic silica interface enhances the nucleation of ice. The observed phase of ice is the cubic ice which appears at about −18 °C in the full hydrated Vycor. The other interesting observation is a greater degree of supercooling of water in partially hydrated samples of Vycor compared to fully hydrated ones. Moreover, the presence of a small amount of liquid water down to −40 °C is identified.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.465031
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  • 6
    Electronic Resource
    Electronic Resource
    A neutron scattering study of liquid D2O under pressure and at various temperatures (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 3727-3735 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A structural investigation of liquid D2O was performed by neutron scattering at pressures up to 6 kbar and in a range of temperatures from 53 down to −65 °C. Some comparison is made with Monte Carlo (MC) and molecular dynamics (MD) simulations. In particular, the results are used to test some recent MD simulations leading to a phase diagram which provides a complete picture of the stable and metastable behavior of water and incorporates the two amorphous ices of water. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468555
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  • 7
    Electronic Resource
    Electronic Resource
    Hydration of Chloride Ions in a Polyelectrolyte Solution Studied with Neutron Diffraction (1994)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 4454-4458 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100067a036
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  • 8
    Electronic Resource
    Electronic Resource
    Neutron Diffraction Study of the Effect of a Polyelectrolyte on the Hydration of Nickel Ions (1994)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 13195-13197 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100101a018
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  • 9
    Electronic Resource
    Electronic Resource
    Hydration of Ni2+ and Cl− in a concentrated nickel chloride solution at 100 °C and 300 °C (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 5155-5159 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The first order difference method of neutron diffraction and isotopic substitution has been applied to the Ni2+ and Cl− ions in a 2 m nickel chloride heavy water solution at 100 °C and 1000 bar, and at 300 °C and 1000 bar. The results show that both the Ni2+ and the Cl− hydration shell become progressively weakened with increasing temperature. The hydration number of Ni2+ drops from ∼6 under ambient conditions to ∼5.4 at 100 °C and to ∼4.5 at 300 °C. The hydration number of Cl− at 100 °C (6.9) is similar to the value under ambient conditions (6.4) and reduces to ∼4.9 at 300 °C. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.472359
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  • 10
    Electronic Resource
    Electronic Resource
    The structure of supercritical heavy water as studied by neutron diffraction (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 2942-2949 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Neutron diffraction experiments of heavy water at several supercritical states (380〈T〈500 °C and200〈P〈900 bar) corresponding to densities ranging from 0.2 to 0.7 g/cm3 are performed. They allow the static structure factor and the pair correlation function to be derived once absorption, multiple scattering, and inelasticity corrections have been made. The experimental results are compared with previous data obtained by Postorino et al. [Nature 366, 668 (1993)] and with new molecular dynamics simulations using the extended simple point charge (SPCE) potential. They lead to the conclusion that hydrogen bonding is still present in supercritical water. This conclusion does not agree with the previous findings of Postorino et al. but looks rather in agreement with the results of computer simulations. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.475155
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