Abstract

A series of molecular dynamics (MD) simulations have been carried out in order to examine the density dependence of reorientational motions in supercritical water. The SPC/E water model was assumed. The reorientational correlation times resulting from MD simulations are compared with recent dielectric relaxation and NMR spectroscopy data. Special interest is devoted to analyse the behaviour of the reorientational correlation times in the low density region. The degree of anisotropy of molecular reorientations in supercritical water is also discussed.

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