A one-dimensional model with water-like anomalies and two phase transitions

作者:Heckmann Lotta*; Drossel Barbara
来源:Journal of Chemical Physics, 2012, 137(6): 064503.
DOI:10.1063/1.4742332

摘要

We investigate a one-dimensional model that shows several properties of water. The model combines the long-range attraction of the van der Waals model with the nearest-neighbor interaction potential by Ben-Naim, which is a step potential that includes a hard core and a potential well. Starting from the analytical expression for the partition function, we determine numerically the Gibbs energy and other thermodynamic quantities. The model shows two phase transitions, which can be interpreted as the liquid-gas transition and a transition between a high-density and a low-density liquid. At zero temperature, the low-density liquid goes into the crystalline phase. Furthermore, we find several anomalies that are considered characteristic for water. We explore a wide range of pressure and temperature values and the dependence of the results on the depth and width of the potential well.

  • 出版日期2012-8-14