The confirmation of the critical point-Zeno-line similarity set from the numerical modeling data for different interatomic potentials

被引:54
作者
Apfelbaum, E. M. [1 ]
Vorob'ev, V. S. [1 ]
机构
[1] Russian Acad Sci, Joint Inst High Temp, Moscow 125412, Russia
关键词
critical points; liquid theory; liquid-vapour transformations; potential energy functions; SQUARE-WELL FLUIDS; VAPOR-LIQUID-EQUILIBRIA; EQUATION-OF-STATE; MONTE-CARLO; PHASE-EQUILIBRIA; VARIABLE RANGE; COEXISTENCE; SIMULATIONS; PARAMETERS; ENSEMBLE;
D O I
10.1063/1.3151982
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We use numerical simulation data for several model interatomic potentials to confirm the critical point-Zeno-line relations of similarity (CZS) for the liquid branch of the coexistence curve suggested earlier [E. M. Apfelbaum and V. S. Vorob'ev, J. Phys. Chem. B 112, 13064 (2008)]. These relations have been based on the analysis of experimental values for the critical point parameters and liquid-gas coexistence curves for a large number of real substances and two model systems. We show that the numerical modeling data as a whole confirm the CZS in the domain of the existence of liquid state. The deviations from CZS relations take place for two cases: (a) the numerically calculated coexistence curve gets into domain corresponding to solidification; (b) the liquid-vapor transition becomes metastable with respect to freezing.
引用
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页数:10
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