Cluster-variation approximation for a network-forming lattice-fluid model

Details Cluster-variation approximation for a network-forming lattice-fluid model Cluster-variation approximation for a network-forming lattice-fluid model

2008-01-22

arxiv.org/abs/0801.3384v1

Physics

Chemical Physics

10 pages, 9 figures, submitted to J. Chem. Phys

Scientific paper

10.1063/1.2919126

We consider a 3-dimensional lattice model of a network-forming fluid, which has been recently investigated by Girardi and coworkers by means of Monte Carlo simulations [J. Chem. Phys. \textbf{126}, 064503 (2007)], with the aim of describing water anomalies. We develop an approximate semi-analytical calculation, based on a cluster-variation technique, which turns out to reproduce almost quantitatively different thermodynamic properties and phase transitions determined by the Monte Carlo method. Nevertheless, our calculation points out the existence of two different phases characterized by long-range orientational order, and of critical transitions between them and to a high-temperature orientationally-disordered phase. Also, the existence of such critical lines allows us to explain certain ``kinks'' in the isotherms and isobars determined by the Monte Carlo analysis. The picture of the phase diagram becomes much more complex and richer, though unfortunately less suitable to describe real water.

Affiliated with

Also associated with

No associations

Rating

Cluster-variation approximation for a network-forming lattice-fluid model does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Cluster-variation approximation for a network-forming lattice-fluid model, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Cluster-variation approximation for a network-forming lattice-fluid model will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-95535