Apparent power-law behavior of water's isothermal compressibility and correlation length upon supercooling

被引：23

作者：

Spah, Alexander ^{[1
]}

Pathak, Harshad ^{[1
]}

Kim, Kyung Hwan ^{[1
]}

Perakis, Fivos ^{[1
]}

Mariedahl, Daniel ^{[1
]}

Amann-Winkel, Katrin ^{[1
]}

Sellberg, Jonas A. ^{[2
]}

Lee, Jae Hyuk ^{[3
]}

Kim, Sangsoo ^{[3
]}

Park, Jaehyun ^{[3
]}

Nam, Ki Hyun ^{[3
]}

Katayama, Tetsuo ^{[4
]}

Nilsson, Anders ^{[1
]}

机构：

[1] Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden

[2] KTH Royal Inst Technol, AlbaNova Univ Ctr, Dept Appl Phys, Biomed & Xray Phys, SE-10691 Stockholm, Sweden

[3] Pohang Accelerator Lab, Pohang 37673, Gyeongbuk, South Korea

[4] Japan Synchrotron Radiat Res Inst, Kouto 1-1-1, Sayo, Hyogo 6795198, Japan

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2019年 / 21卷 / 01期

基金：

欧洲研究理事会; 瑞典研究理事会;

关键词：

LIQUID-LIQUID TRANSITION; ANOMALOUS PROPERTIES; HEAT-CAPACITY; NUCLEATION; MODEL; SINGULARITY; TIP4P/2005; H2O; D2O;

D O I：

10.1039/c8cp05862h

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：

The isothermal compressibility and correlation length of supercooled water obtained from small-angle X-ray scattering (SAXS) were analyzed by fits based on an apparent power-law in the temperature range from 280 K down to the temperature of maximum compressibility at 229 K. Although the increase in thermodynamic response functions is not towards a critical point, it is still possible to obtain an apparent power law all the way to the maximum values with best-fit exponents of gamma = 0.40 +/- 0.01 for the isothermal compressibility and nu = 0.26 +/- 0.03 for the correlation length. The ratio between these exponents is close to a value of approximate to 0.5, as expected for a critical point, indicating the proximity of a potential second critical point. Comparison of gamma obtained from experiment with molecular dynamics simulations on the iAMOEBA water model shows that it would be located at pressures in the neighborhood of 1 kbar. The high value and sharpness of the compressibility maximum observed in the experiment are not reproduced by any of the existing classical water models, thus inviting further development of simulation models of water.

引用

页码：26 / 31

页数：6

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