液态水的高压-高温布里渊研究：从低密度水到高密度水结构转变的证据

High pressure-temperature Brillouin study of liquid water: evidence of the structural transition from low-density water to high-density water.

作者信息

Li Fangfei, Cui Qiliang, He Zhi, Cui Tian, Zhang Jian, Zhou Qiang, Zou Guangtian, Sasaki Shigeo

机构信息

National Laboratory of Superhard Materials, Jilin University, Changchun 130012, China.

出版信息

J Chem Phys. 2005 Nov 1;123(17):174511. doi: 10.1063/1.2102888.

DOI:10.1063/1.2102888

PMID:16375550

Abstract

The structural transformations occurring to water from low-density (LDW) to high-density (HDW) regimes have been studied by Brillouin scattering for the first time at temperatures up to 453 K and at pressures up to the solidification point. At ambient temperature (293 K) a discontinuity in pressure response of the sound velocity is observed. Furthermore, there are evident breaks in the linear behavior of log10 C11 versus log10(rho/rho0) when pressure increases up to 0.29, 0.21, and 0.19 GPa at the temperature of 293, 316, and 353 K, respectively. It is supposed to indicate the structural transition from LDW to HDW, and the possible transition boundary between LDW and HDW is in good agreement with the molecular-dynamics simulation.

摘要

首次通过布里渊散射在高达453 K的温度和高达凝固点的压力下研究了水从低密度（LDW）到高密度（HDW）状态时发生的结构转变。在环境温度（293 K）下，观察到声速的压力响应存在不连续性。此外，当压力分别在293、316和353 K的温度下增加到0.29、0.21和0.19 GPa时，log10 C11与log10（rho/rho0）的线性关系存在明显的断点。这被认为表明了从LDW到HDW的结构转变，并且LDW和HDW之间可能的转变边界与分子动力学模拟结果吻合良好。