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Phase diagram of supercooled water confined to hydrophilic nanopores

机译:限于亲水纳米孔的过冷水的相图

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We present a phase diagram for water confined to cylindrical silica nanopores in terms of pressure, temperature, and pore radius. The confining cylindrical wall is hydrophilic and disordered, which has a destabilizing effect on ordered water structure. The phase diagram for this class of systems is derived from general arguments, with parameters taken from experimental observations and computer simulations and with assumptions tested by computer simulation. Phase space divides into three regions: a single liquid, a crystal-like solid, and glass. For large pores, radii exceeding 1 nm, water exhibits liquid and crystal-like behaviors, with abrupt crossovers between these regimes. For small pore radii, crystal-like behavior is unstable and water remains amorphous for all non-zero temperatures. At low enough temperatures, these states are glasses. Several experimental results for supercooled water can be understood in terms of the phase diagram we present.
机译:我们根据压力,温度和孔半径提供了一种水,将水限制在圆柱状二氧化硅纳米孔中。封闭的圆柱形壁是亲水的且无序的,这对有序的水结构具有不稳定作用。此类系统的相图来自一般参数,参数取自实验观察和计算机模拟,并由计算机模拟进行了测试。相空间分为三个区域:单一液体,类晶体固体和玻璃。对于半径超过1 nm的大孔,水表现出液体和晶体状的行为,这些状态之间会出现突然的交叉。对于小半径半径,在所有非零温度下,类晶体的行为都是不稳定的,水仍然是非晶态。在足够低的温度下,这些状态是眼镜。根据我们提供的相图,可以了解过冷水的几个实验结果。

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