Condensed Matter Physics, 2013, vol. 16, No. 4, 43605:1-7
DOI:10.5488/CMP.16.43605           arXiv:1312.4559

Title: Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory
  T. Urbic (Faculty of Chemistry and Chemical Technology, University of Ljubljana, Askerceva 5, 1000 Ljubljana, Slovenia)

Thermodynamic properties of the particles interacting through smooth version of Stell-Hemmer interaction were studied using Wertheim's thermodynamic perturbation theory. The temperature dependence of molar volume, heat capacity, isothermal compressibility and thermal expansion coefficient at constant pressure for different number of bonding sites on particle were evaluated. The model showed water-like anomalies for all evaluated quantities, but thermodynamic perturbation theory does not properly predict dependence of these properties at fixed number of bonding points.

Key words: Monte Carlo, thermodynamic perturbation theory, core softened fluid
PACS: 64.70.Ja, 61.20.Ja

Full text [pdf, ps] << List of papers