Size and structure of molecular clusters in supercritical water

Citation
Sv. Churakov et Ag. Kalinichev, Size and structure of molecular clusters in supercritical water, J STRUCT CH, 40(4), 1999, pp. 548-553
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF STRUCTURAL CHEMISTRY
ISSN journal
00224766 → ACNP
Volume
40
Issue
4
Year of publication
1999
Pages
548 - 553
Database
ISI
SICI code
0022-4766(199907/08)40:4<548:SASOMC>2.0.ZU;2-8
Abstract
The type and topology of hydrogen-bonded molecular clusters of water are in vestigated by the molecular dynamics method for five models of water in sup ercritical conditions, Small clusters (of the order of 10 molecules) are pr esent in all models, even at densities of less than 0.2 g/cm(3). When the d ensity increases, a phase transition occurs from vapor-like to fluid-like s tate. Among small clusters, linear structures are predominant.