Liquid-liquid critical point in a Hamiltonian model for water: analytic solution

被引:82
作者
Franzese, G
Stanley, HE
机构
[1] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
[2] Boston Univ, Dept Phys, Boston, MA 02215 USA
关键词
D O I
10.1088/0953-8984/14/9/309
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Water is characterized by a density anomaly whose origin is a matter of debate. Theoretical works have shown that two of the proposed explanations, the second-critical-point hypothesis and the singularity-free scenario, have the same microscopic origin, but arise from different choices of parameters, such as the hydrogen bond strength or geometry. We consider a Hamiltonian model proposed by Sastry et al that supports the singularity-free scenario and was solved in an approximation where the intra-molecular interactions are neglected. We show that, by including these interactions, the second critical point is recovered, elucidating the differences in the mechanisms at the origin of the two interpretations.
引用
收藏
页码:2201 / 2209
页数:9
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