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
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.