Thermodynamic and dynamic anomalies in a one-dimensional lattice model of liquid water

被引:11
作者
Barbosa, Marco Aurelio A. [2 ]
Barbosa, Fernando Vito [1 ]
Oliveira, Fernando Albuquerque [1 ]
机构
[1] Univ Brasilia, Inst Fis, BR-70910970 Brasilia, DF, Brazil
[2] Univ Brasilia, Fac UnB Planaltina, BR-73300000 Planaltina, DF, Brazil
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.3522772
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 investigate the occurrence of waterlike thermodynamic and dynamic anomalous behavior in a one dimensional lattice gas model. The system thermodynamics is obtained using the transfer matrix technique and anomalies on density and thermodynamic response functions are found. When the hydrogen bond (molecules separated by holes) is more attractive than the van der Waals interaction (molecules in contact) a transition between two fluid structures is found at null temperature and high pressure. This transition is analogous to a ` critical point' and intimately connects the anomalies in density and in thermodynamic response functions. Monte Carlo simulations were performed in the neighborhood of this transition and used to calculate the self diffusion constant, which increases with density as in liquid water. (C) 2011 American Institute of Physics. [doi:10.1063/1.3522772]
引用
收藏
页数:7
相关论文
共 28 条
[1]   Relationship between structure, entropy, and mobility in network-forming ionic melts [J].
Agarwal, Manish ;
Chakravarty, Charusita .
PHYSICAL REVIEW E, 2009, 79 (03)
[2]   Thermodynamic, dynamic, and structural anomalies for shoulderlike potentials [J].
Barraz, Ney M., Jr. ;
Salcedo, Evy ;
Barbosa, Marcia C. .
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (09)
[3]   1-DIMENSIONAL BONDED FLUIDS [J].
BELL, GM .
JOURNAL OF MATHEMATICAL PHYSICS, 1969, 10 (09) :1753-&
[4]   One-dimensional model for water and aqueous solutions. II. Solvation of inert solutes in water [J].
Ben-Naim, Arieh .
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (02)
[5]   One-dimensional model for water and aqueous solutions. I. Pure liquid water [J].
Ben-Naim, Arieh .
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (02)
[6]  
BENNAIM A, 1992, STAT MECH CHEM BIOCH
[7]  
Binder Kurt, 1988, MONTE CARLO SIMULATI
[8]   An explanation of the density maximum in water [J].
Cho, CH ;
Singh, S ;
Robinson, GW .
PHYSICAL REVIEW LETTERS, 1996, 76 (10) :1651-1654
[9]   Supercooled and glassy water [J].
Debenedetti, PG .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (45) :R1669-R1726
[10]   Relationship between structural order and the anomalies of liquid water [J].
Errington, JR ;
Debenedetti, PG .
NATURE, 2001, 409 (6818) :318-321