Phase diagram of water between hydrophobic surfaces
Phase diagram of water between hydrophobic surfaces
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DOI：
10.1063/1.1861879
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发表时间：
2005-03-08
影响因子：
4.4
通讯作者：
Tanaka, H
中科院分区：
文献类型：
--
作者：
Koga, K;Tanaka, H
分子动力学模拟表明，至少存在两类准二维固体水，其中液态水被限制在疏水表面之间自发冻结，其氢键网络与大块冰的氢键网络一样完全连接。其中一种是单层冰，另一种是双层固体，它可以是晶体或无定形的。本文给出了不同热力学条件下液态冰、双层非晶冰和单层冰的相变，并在温度和界面距离不同的等应力平面上确定了融化、冻结和固-固结构变化曲线，最后给出了密闭水在温度-压力-距离空间中的相图。
Molecular dynamics simulations demonstrate that there are at least two classes of quasi-two-dimensional solid water into which liquid water confined between hydrophobic surfaces freezes spontaneously and whose hydrogen-bond networks are as fully connected as those of bulk ice. One of them is the monolayer ice and the other is the bilayer solid which takes either a crystalline or an amorphous form. Here we present the phase transformations among liquid, bilayer amorphous (or crystalline) ice, and monolayer ice phases at various thermodynamic conditions, then determine curves of melting, freezing, and solid-solid structural change on the isostress planes where temperature and intersurface distance are variable, and finally we propose a phase diagram of the confined water in the temperature-pressure-distance space.