Two-dimensional core-softened model with water like properties. Study by thermodynamic perturbation theory

被引:2
作者
Urbic, T. [1 ]
机构
[1] Univ Ljubljana, Fac Chem & Chem Technol, Ljubljana 1000, Slovenia
关键词
Monte Carlo; thermodynamic perturbation theory; core softened fluid; DIRECTIONAL ATTRACTIVE FORCES; ASSOCIATING FLUIDS; PHASE-EQUILIBRIA; ANOMALIES; MECHANISM; BEHAVIOR;
D O I
10.5488/CMP.16.43605
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
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 the dependence of these properties at a fixed number of bonding points.
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页数:7
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