Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies

Lomba, E.; Almarza, N. G.; Martin, C.; McBride, C.

Phase behaviour of attractive and repulsive ramp fluids: integral equation and computer simulation studies

Authors

Description

Using computer simulations and a thermodynamically self consistent integral equation we investigate the phase behaviour and thermodynamic anomalies of a fluid composed of spherical particles interacting via a two-scale ramp potential (a hard core plus a repulsive and an attractive ramp) and the corresponding purely repulsive model. Both simulation and integral equation results predict a liquid-liquid de-mixing when attractive forces are present, in addition to a gas-liquid transition. Furthermore, a fluid-solid transition emerges in the neighbourhood of the liquid-liquid transition region, leading to a phase diagram with a somewhat complicated topology. This solidification at moderate densities is also present in the repulsive ramp fluid, thus preventing fluid-fluid separation.
29 pages, 10 figures