We explore a simple model of water: Lennard-Jones disks in two dimensions, subject to a Gaussian orientation-dependent hydrogen-bond function. The model, originally developed by Ben-Naim, shows the anomalous features of water and aspects of the hydrophobic effect. Here we further explore its phase diagram and related properties by NPT Monte Carlo simulations.
|Original language||English (US)|
|Number of pages||8|
|Journal||Fluid Phase Equilibria|
|State||Published - 1998|
|Event||Proceedings of the 1997 13th Symposium on Thermophysical Properties - Boulder, CO, USA|
Duration: Jun 22 1997 → Jun 27 1997
Bibliographical noteFunding Information:
KATS gratefully acknowledges support under a U.S. National Science Foundation Graduate Research Fellowship and a UCSF Regent's Fellowship. In Australia this research was supported by the Australian Research Council (ARC) (Grant No. A29530010), and SydCom the USyd/UTS Distributed Processing Facility funded by an ARC infrastructure grant.
- Phase diagram
- Two dimensions
- Water model