2024-03-28T20:27:38Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/179132020-05-20T07:25:07Zcom_10261_34com_10261_5col_10261_287
Phase behavior of attractive and repulsive ramp fluids: Integral equation and computer simulation studies
Lomba, Enrique
Almarza, Noé G.
Martín, C.
McBride, Carl
Ramp Model
Monte Carlo
Integral equation theory
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
2009-10-22T09:06:21Z
2009-10-22T09:06:21Z
2007-06-28
artículo
J. Chem. Phys. 126, 244510 (2007)
http://hdl.handle.net/10261/17913
10.1063/1.2748043
eng
http://dx.doi.org/10.1063/1.2748043
openAccess
American Institute of Physics