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Phase behavior of attractive and repulsive ramp fluids: Integral equation and computer simulation studies

AuthorsLomba, Enrique ; Almarza, Noé G. ; Martín, C. ; McBride, Carl
KeywordsRamp Model
Monte Carlo
Integral equation theory
Issue Date28-Jun-2007
PublisherAmerican Institute of Physics
CitationJ. Chem. Phys. 126, 244510 (2007)
AbstractUsing computer simulations and a thermodynamically self-consistent integral equation we investigate the phase behavior 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 demixing when attractive forces are present, in addition to a gas-liquid transition. Furthermore, a fluid-solid transition emerges in the neighborhood 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, but in this case inhibits the fluid-fluid separation. ©2007 American Institute of Physics
Publisher version (URL)http://dx.doi.org/10.1063/1.2748043
Appears in Collections:(IQFR) Artículos
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