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Effects of solid/liquid interface on size-dependent specific heat capacity of nanoscale water films: Insight from molecular simulations
Fluid Phase Equilibria ( IF 2.6 ) Pub Date : 2021-03-03 , DOI: 10.1016/j.fluid.2021.113001
Lu Jin , Saad F.M. Noraldeen , Leping Zhou , Xiaoze Du

The thermophysical properties of an evaporative thin water film that is near the triple line may change because of the effects of size, geometry, interface, temperature, etc. However, the factor-dependence of the properties was seldom considered for the corresponding nanoscale transport phenomena or processes. In this work, the effects of the interface and temperature on the thickness-dependent specific heat capacities of nanoscale water films are investigated by comparing the values of the freestanding film between vacuum, the sessile film on a copper plate, and the confined film between two copper plates. It is found that the specific heat capacities of the thin water films decrease exponentially with reducing thickness, with the confined film having the highest value, followed by the sessile film and the freestanding film, at the same film thickness. The solid/liquid interface presents a substantial impact on the increase in the specific heat capacity, demonstrated by the analysis of density profile, vibration density of state of hydrogen atoms of water molecules, radial distribution function, and interface energy, compared between the films of different types. The analysis of the temperature effect by comparing the vibration densities of state in different regions of the films at different temperatures shows that the temperature has a negligible influence as compared to the size and interface effects. Therefore, the form of a thin water film will greatly affect its thermophysical properties, including specific heat capacity, which should be considered in applications such as evaporation of thin water film, nanoconfinement transfer in membrane, and interface separation of porous media.



中文翻译:

固/液界面对纳米级水膜尺寸相关比热容的影响:分子模拟的启示

由于尺寸,几何形状,界面,温度等因素的影响,靠近三线的蒸发水薄膜的热物理性质可能会发生变化。但是,很少考虑相应的纳米级传输现象对性质的因素依赖性。或过程。在这项工作中,通过比较真空下的独立膜,铜板上的无柄膜以及两者之间的密闭膜的值,研究了界面和温度对纳米级水膜的厚度依赖性比热容的影响。铜板。发现薄水膜的比热容随厚度的减小而呈指数下降,其中密闭膜具有最高的值,其次是无柄膜和独立膜,在相同的薄膜厚度下。固/液界面对比热容的增加产生了实质性的影响,这通过分析密度分布,水分子氢原子状态的振动密度,径向分布函数和界面能进行了分析,证明了这些薄膜之间的比较。不同种类。通过比较薄膜在不同温度下不同区域的状态振动密度对温度效应的分析表明,与尺寸和界面效应相比,温度的影响可忽略不计。因此,薄水膜的形式将极大地影响其热物理性质,包括比热容,在诸如薄水膜蒸发,膜中纳米约束转移,

更新日期:2021-03-11
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