Thermodynamics of supercooled water in solutions

被引:7
作者
Corradini, D. [1 ]
Gallo, P. [1 ]
Rovere, M. [1 ]
机构
[1] Univ Roma Tre, Dipartimento Fis, I-00146 Rome, Italy
来源
WATER INTERFACES IN PHYSICS CHEMISTRY AND BIOLOGY: A MULTI-DISCIPLINARY APPROACH | 2009年 / 177卷
关键词
LIQUID; TRANSITION; POINT; ICE;
D O I
10.1088/1742-6596/177/1/012003
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070305 [高分子化学与物理];
摘要
Molecular dynamics simulations are performed on bulk TIP4P water and on a low concentration aqueous sodium chloride solution. The thermodynamic properties of the systems are studied by analysing the isotherms and the isochores planes. The comparison of the thermodynamics planes of the two systems reveals that modifications beyond a trivial shift occur in the solution. Moreover the limit of mechanical stability and the temperatures of maximum density line can be calculated from the analysis of the thermodynamic planes. While the limit of mechanical stability results unaffected by the presence of the ions, the temperatures of maximum density line is both mildly shifted in temperature and modified in shape in the solution, with respect to bulk water. Signatures of the presence of liquid-liquid coexistence are found in the aqueous solution. The results are also compared to water in a hydrophobic environment and to water confined between hydrophobic plates.
引用
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页数:7
相关论文
共 27 条
[1]
Liquid fragility and the glass transition in water and aqueous solutions [J].
Angell, CA .
CHEMICAL REVIEWS, 2002, 102 (08) :2627-2649
[2]
SUPERCOOLED WATER [J].
ANGELL, CA .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1983, 34 :593-630
[3]
Thermodynamic properties of the NaCl+H2O system.: 4.: Heat capacities of H2O and NaCl(aq) in cold-stable and supercooled states [J].
Archer, DG ;
Carter, RW .
JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (35) :8563-8584
[4]
MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].
BERENDSEN, HJC ;
POSTMA, JPM ;
VANGUNSTEREN, WF ;
DINOLA, A ;
HAAK, JR .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690
[5]
Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models [J].
Brovchenko, I ;
Geiger, A ;
Oleinikova, A .
JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (04)
[6]
Thermodynamic behavior and structural properties of an aqueous sodium chloride solution upon supercooling [J].
Corradini, D. ;
Gallo, P. ;
Rovere, M. .
JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (24)
[7]
Supercooled and glassy water [J].
Debenedetti, PG .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (45) :R1669-R1726
[8]
Franks F., 2000, WATER MATRIX LIFE
[9]
Spinodal of supercooled polarizable water [J].
Gallo, P. ;
Minozzi, M. ;
Rovere, M. .
PHYSICAL REVIEW E, 2007, 75 (01)
[10]
Structural properties and liquid spinodal of water confined in a hydrophobic environment [J].
Gallo, P. ;
Rovere, M. .
PHYSICAL REVIEW E, 2007, 76 (06)