ROLE OF THE INTERACTION RANGE IN THE SHAPING OF PHASE-DIAGRAMS IN SIMPLE FLUIDS - THE HARD-SPHERE YUKAWA FLUID AS A CASE-STUDY

Citation
E. Lomba et Ng. Almarza, ROLE OF THE INTERACTION RANGE IN THE SHAPING OF PHASE-DIAGRAMS IN SIMPLE FLUIDS - THE HARD-SPHERE YUKAWA FLUID AS A CASE-STUDY, The Journal of chemical physics, 100(11), 1994, pp. 8367-8372
Citations number
16
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
100
Issue
11
Year of publication
1994
Pages
8367 - 8372
Database
ISI
SICI code
0021-9606(1994)100:11<8367:ROTIRI>2.0.ZU;2-K
Abstract
We have investigated the influence of the interaction range on the sha pe of the phase diagram in a system of particles that interact via a h ard-sphere potential plus an attractive Yukawa interaction; The gas-li quid phase diagram is evaluated both by Gibbs ensemble Monte Carlo sim ulation and reference hypernetted chain integral equation theory. An e stimate of the liquid-solid transition line was computed using a recen tly proposed one-phase entropic criterion with thermodynamic and struc tural input from the integral equation results. The overall agreement between theory and simulation is remarkable. Our results clearly indic ate that the;range of temperatures for which the liquid is stable shri nks as the interaction range decreases. At the same time, the gas-liqu id phase diagram tends to flatten out, in particular on the liquid sid e. For sufficiently short interaction ranges the system has no stable liquid phase.