We evaluate the location of the gas–liquid coexistence line and of the associated critical point for the primitive model for water (PMW), introduced by Kolafa and Nezbeda (1987 Mol. Phys. 61 161). Besides being a simple model for a molecular network forming liquid, the PMW is representative of patchy proteins and novel colloidal particles interacting with localized directional short-range attractions. We show that the gas–liquid phase separation is metastable, i.e. it takes place in the region of the phase diagram where the crystal phase is thermodynamically favoured, as in the case of particles interacting via short-range attractive spherical potentials. We do not observe crystallization close to the critical point. The region of gas–liquid instability of this patchy model is significantly reduced as compared to that from equivalent models of spherically interacting particles, confirming the possibility of observing kinetic arrest in a homogeneous sample driven by bonding as opposed to packing.
|Data di pubblicazione:||2007|
|Titolo:||Gas-liquid phase coexistence in a tetrahedral patchy particle model|
|Rivista:||JOURNAL OF PHYSICS. CONDENSED MATTER|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1088/0953-8984/19/32/322101|
|Appare nelle tipologie:||2.1 Articolo su rivista |
File in questo prodotto:
|romano-jpcm-2007.pdf||Versione dell'editore||Accesso chiuso-personale||Riservato|