On the nature of a supposed water model

被引:1
作者
Heckmann, Lotta [1 ]
Drossel, Barbara [1 ]
机构
[1] Tech Univ Darmstadt, Inst Festkorperphys, D-64289 Darmstadt, Germany
关键词
LIQUID CRITICAL-POINT; PHASE-DIAGRAM; DENSITY; BEHAVIOR;
D O I
10.1063/1.4892523
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
A cell model that has been proposed by Stanley and Franzese in 2002 for modeling water is based on Potts variables that represent the possible orientations of bonds between water molecules. We show that in the liquid phase, where all cells are occupied by a molecule, the Hamiltonian of the cell model can be rewritten as a Hamiltonian of a conventional Potts model, albeit with two types of coupling constants. We argue that such a model, while having a first-order phase transition, cannot display the critical end point that is postulated for the phase transition between a high-and low-density liquid. A closer look at the mean-field calculations that claim to find such an end point in the cell model reveals that the mean-field theory is constructed such that the symmetry constraints on the order parameter are violated. This is equivalent to introducing an external field. The introduction of such a field can be given a physical justification due to the fact that water does not have the type of long-range order occurring in the Potts model. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
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页数:14
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共 36 条
[1]   Insights into phases of liquid water from study of its unusual glass-forming properties [J].
Angell, C. Austen .
SCIENCE, 2008, 319 (5863) :582-587
[2]  
[Anonymous], 2009, MOL THEORY WATER A 1
[3]  
Ben-Naim A., 2008, J CHEM PHYS, V128
[5]   ISING MODEL FOR LAMBDA TRANSITION AND PHASE SEPARATION IN HE-3-HE-4 MIXTURES [J].
BLUME, M ;
EMERGY, VJ ;
GRIFFITHS, RB .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1971, 4 (03) :1071-+
[6]   Relations between the diffusion anomaly and cooperative rearranging regions in a hydrophobically nanoconfined water monolayer [J].
de los Santos, Francisco ;
Franzese, Giancarlo .
PHYSICAL REVIEW E, 2012, 85 (01)
[7]   A theory for discriminating the mechanism responsible for the water density anomaly [J].
Franzese, G ;
Stanley, HE .
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2002, 314 (1-4) :508-513
[8]   Liquid-liquid critical point in a Hamiltonian model for water: analytic solution [J].
Franzese, G ;
Stanley, HE .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (09) :2201-2209
[9]  
Franzese G, 2000, AIP CONF PROC, V519, P281, DOI 10.1063/1.1291569
[10]   The Widom line of supercooled water [J].
Franzese, Giancarlo ;
Stanley, H. Eugene .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (20)