Authors
Vera B Henriques*, Nara Guisoni, Marco AurÉLio Barbosa, Marcelo Thielo, Marcia C Barbosa
Publication date
2005/11/10
Journal
Molecular Physics
Volume
103
Issue
21-23
Pages
3001-3007
Publisher
Taylor & Francis Group
Description
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.
Total citations
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Scholar articles
VB Henriques*, N Guisoni, M AurÉLio Barbosa… - Molecular Physics, 2005