Structure of supercritical water

Citation
Mc. Bellissent-funel, Structure of supercritical water, J MOL LIQ, 90(1-3), 2001, pp. 313-322
Citations number
43
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR LIQUIDS
ISSN journal
01677322 → ACNP
Volume
90
Issue
1-3
Year of publication
2001
Pages
313 - 322
Database
ISI
SICI code
0167-7322(200102)90:1-3<313:SOSW>2.0.ZU;2-R
Abstract
This review paper gives the more up to date information on the structure of supercritical water, at different thermodynamic states, for densities rang ing from 0.2 to 0.7 g.cm(-3), studied by neutron scattering. The experiment al partial pair correlation functions g(OH)(r), g(HH)(r) and g(OO)(r) are c ompared with the results of molecular dynamics simulations using the (SPCE) model potential for water. The results confirm that hydrogen bonding is st ill present. in dense supercritical water and are in good agreement with da ta obtained by NMR and Raman spectroscopies. (C) 2001 Elsevier Science B.V. All rights reserved.