Liquid polyamorphism and double criticality in a lattice gas model

We analyse the possible phase diagrams of a simple model for an associating liquid proposed previously. Our two-dimensional lattice model combines orientational ice-like interactions and `van der Waals' interactions which may be repulsive, and in this case represent a penalty for distortion of...

Full description

Saved in:
Bibliographic Details
Published in:Molecular physics 2005-11, Vol.103 (21-23), p.3001-3007
Main Authors: Henriques, Vera B., Guisoni, Nara, AurÉLio Barbosa, Marco, Thielo, Marcelo, Barbosa, Marcia C.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:We analyse the possible phase diagrams of a simple model for an associating liquid proposed previously. Our two-dimensional lattice model combines orientational ice-like interactions and `van der Waals' interactions which may be repulsive, and in this case represent a penalty for distortion of hydrogen bonds in the presence of extra molecules. These interactions can be interpreted in terms of two competing distances, but not necessarily soft-core. We present mean-field calculations and an exhaustive simulation study for different parameters which represent the relative strength of the bonding interaction to the energy penalty for its distortion. As this ratio decreases, a smooth disappearance of the double criticality occurs. Possible connections to liquid-liquid transitions of molecular liquids are suggested.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268970500208807