CAN LENNARD-JONES PARTICLES WITH 4 BONDING SITES REALISTICALLY MODEL WATER

Citation
I. Nezbeda et J. Slovak, CAN LENNARD-JONES PARTICLES WITH 4 BONDING SITES REALISTICALLY MODEL WATER, Chemical physics letters, 260(3-4), 1996, pp. 336-340
Citations number
12
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
260
Issue
3-4
Year of publication
1996
Pages
336 - 340
Database
ISI
SICI code
0009-2614(1996)260:3-4<336:CLPW4B>2.0.ZU;2-1
Abstract
The fluid of Lennard-Jones particles with four bonding sites, introduc ed recently as a realistic substitute of hard-core models, has been in vestigated by computer simulations. It is shown that, within the range of potential parameters originally considered, the structure of this fluid is typically normal-fluid-like and does not reproduce any struct ural features typical of associating fluids. By considerably increasin g the strength of association, the structure becomes, but only qualita tively, water-like and similar to the structure produced by the origin al hard-core models.