Structure of supercritical water

被引：43

作者：

Bellissent-Funel, MC ^{[1
]}

机构：

[1] CEA Saclay, Leon Brillouin Lab, CNRS, F-91191 Gif Sur Yvette, France

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2001年 / 90卷 / 1-3期

关键词：

D O I：

10.1016/S0167-7322(01)00135-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This review paper gives the more up to date information on the structure of supercritical water, at different thermodynamic states, for densities ranging from 0.2 to 0.7 g.cm(-3), studied by neutron scattering. The experimental partial pair correlation functions g(OH)(r), g(HH)(r) and g(OO)(r) are compared with the results of molecular dynamics simulations using the (SPCE) model potential for water. The results confirm that hydrogen bonding is still present. in dense supercritical water and are in good agreement with data obtained by NMR and Raman spectroscopies. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：313 / 322

页数：10

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