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Título: | Phase behavior of attractive and repulsive ramp fluids: Integral equation and computer simulation studies |
Autor: | Lomba, Enrique CSIC ORCID ; Almarza, Noé G. CSIC ORCID; Martín, C. CSIC; McBride, Carl CSIC ORCID | Palabras clave: | Ramp Model Monte Carlo Integral equation theory |
Fecha de publicación: | 28-jun-2007 | Editor: | American Institute of Physics | Citación: | J. Chem. Phys. 126, 244510 (2007) | Resumen: | Using 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 | Versión del editor: | http://dx.doi.org/10.1063/1.2748043 | URI: | http://hdl.handle.net/10261/17913 | DOI: | 10.1063/1.2748043 |
Aparece en las colecciones: | (IQF) Artículos |
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