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
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
收藏
页码:313 / 322
页数:10
相关论文
共 43 条
[1]   NEUTRON-SCATTERING DETERMINATION OF LOCAL ORDER IN AMORPHOUS AND LIQUID-SYSTEMS USING A POSITION-SENSITIVE DETECTOR [J].
AMBROISE, JP ;
BELLISSENTFUNEL, MC ;
BELLISSENT, R .
REVUE DE PHYSIQUE APPLIQUEE, 1984, 19 (09) :731-734
[2]  
BELLISSENTFUNEL MC, 1991, NATO ADV SCI I C-MAT, V329, P117
[3]   A NEUTRON-SCATTERING STUDY OF LIQUID D2O UNDER PRESSURE AND AT VARIOUS TEMPERATURE [J].
BELLISSENTFUNEL, MC ;
BOSIO, L .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (09) :3727-3735
[4]   The structure of supercritical heavy water as studied by neutron diffraction [J].
BellissentFunel, MC ;
Tassaing, T ;
Zhao, H ;
Beysens, D ;
Guillot, B ;
Guissani, Y .
JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (08) :2942-2949
[5]   THE INELASTICITY CORRECTION FOR LIQUID WATER IN NEUTRON-SCATTERING [J].
BELLISSENTFUNEL, MC ;
BOSIO, L ;
TEIXEIRA, J .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (22) :4065-4074
[6]  
BELLISSENTFUNEL MC, 1996, J CHEM PHYS, V104, P1
[7]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[8]  
BONETTI M, 1999, J CHEM PHYS, V111, P247
[9]   NEUTRON-DIFFRACTION STUDY OF WATER AT HIGH-TEMPERATURE [J].
BUONTEMPO, U ;
POSTORINO, P ;
RICCI, MA ;
SOPER, AK .
EUROPHYSICS LETTERS, 1992, 19 (05) :385-389
[10]   Microstructure of ambient and supercritical water. Direct comparison between simulation and neutron scattering experiments [J].
Chialvo, AA ;
Cummings, PT .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (04) :1309-1316