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Water confined in Vycor glass. I. A neutron diffraction study

1998; American Institute of Physics; Volume: 109; Issue: 4 Linguagem: Inglês

10.1063/1.476698

1520-9032

Fabio Bruni, Maria Antonietta Ricci, Alan K. Soper,

Material Dynamics and Properties

Neutron diffraction experiments with isotopic substitution on water confined in porous Vycor glass at two hydration states are presented and analyzed in terms of the experimentally accessible site-site distribution functions. The bias on these functions as well as their limitations, due to the presence of regions where water molecules are not allowed (excluded volume effects), and to the contribution of water–Vycor interference to the measured cross sections, are discussed. In particular the relative weight of these cross correlation terms is estimated for the first time. It is shown that the traditional analysis of diffraction data of these kinds which ignore cross correlations may be erroneous. A full account of the excluded volume effects is reported in paper II [A. Soper, F. Bruni, and M. A. Ricci, J. Chem. Phys. 109, 1486 (1998), following paper].