Dielectric relaxation of supercritical water: Computer simulations

Authors
Citation
Ms. Skaf et D. Laria, Dielectric relaxation of supercritical water: Computer simulations, J CHEM PHYS, 113(9), 2000, pp. 3499-3502
Citations number
36
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
9
Year of publication
2000
Pages
3499 - 3502
Database
ISI
SICI code
0021-9606(20000901)113:9<3499:DROSWC>2.0.ZU;2-X
Abstract
Dielectric relaxation times of supercritical SPC/E water from molecular dyn amics simulations are found to be in good agreement with recent experimenta l data for densities rho greater than or equal to 0.4 g/cm(3), but the shar p increase in the experimental Debye time as rho decreases is not reproduce d. Large discrepancies between experimental and simulation data in the dilu te regime strongly suggest the need for additional measurements and/or theo retical work. (C) 2000 American Institute of Physics. [S0021-9606(00)52433- 7].