A molecular dynamics study of liquid cesium along vapour pressure curve

Citation
S. Ranganathan et al., A molecular dynamics study of liquid cesium along vapour pressure curve, PHYS CHEM L, 37(3), 1999, pp. 237-249
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICS AND CHEMISTRY OF LIQUIDS
ISSN journal
00319104 → ACNP
Volume
37
Issue
3
Year of publication
1999
Pages
237 - 249
Database
ISI
SICI code
0031-9104(1999)37:3<237:AMDSOL>2.0.ZU;2-#
Abstract
Molecular dynamic simulation of liquid cesium along its vapour pressure cur ve has been done using Ichimaru-Utsumi potential. This potential have been compared with PST and DRT potential near the triple point. We have studied static pair correlation function, time evolution of velocity auto-correlati on function, and self diffusion coefficients for four thermodynamic states. It is found that the position of first peak in pair correlation function a lmost remains same whereas its peak height decreases as temperature is incr eased. The calculated values of the self-diffusion coefficient have been co mpared with experimental result wherever available. Using the MD values of reduced diffusion coefficients for expanded Rb and present results for expa nded Cs, it is predicted that both data can be represented by a single stra ight line as a function of reduced density and temperature.