Cunsolo A, Orecchini A, Petrillo C, Sacchetti F
CNR-INFM, Centro di Ricerca e Sviluppo SOFT, I-00185 Roma, Italy.
J Chem Phys. 2006 Feb 28;124(8):084503. doi: 10.1063/1.2174007.
We report on a high-resolution, high-statistics, quasielastic neutron scattering (QENS) experiment on liquid water, aimed at accurately measuring the pressure dependence of the single-particle dynamic response function at low wave vector transfers, namely, from 0.26 to 1.32 A(-1). High-pressure QENS data were collected along the T = 268 K isothermal path over the rather extended pressure range of 80 up to 350 MPa, a thermodynamic region so far unexplored by this microscopic technique. The analysis of the measured line shapes enabled us to draw a consistent picture of the wave vector and pressure dependences of the diffusion mechanisms in liquid water, against which the most recent models for water dynamics can be checked. In close similarity with the case of supercooled water, the relaxing-cage model was found to provide a quantitatively more accurate description of the molecular motions and their pressure evolution in liquid water.
我们报道了一项针对液态水的高分辨率、高统计量的准弹性中子散射(QENS)实验,旨在精确测量低波矢转移(即从0.26至1.32 Å⁻¹)下单粒子动态响应函数的压力依赖性。沿着T = 268 K等温线,在80至350 MPa这一相当宽的压力范围内收集了高压QENS数据,该热力学区域迄今尚未被这种微观技术所探索。对测得的线形进行分析,使我们能够描绘出液态水中扩散机制的波矢和压力依赖性的连贯图景,据此可以检验最新的水动力学模型。与过冷水的情况极为相似,发现弛豫笼模型能在定量上更准确地描述液态水中分子运动及其压力演变。