Radical re-appraisal of water structure in hydrophilic confinement.
Radical re-appraisal of water structure in hydrophilic confinement.
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DOI：
10.1016/j.cplett.2013.10.075
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发表时间：
2013-12-18
影响因子：
2.8
通讯作者：
Soper, Alan K.
中科院分区：
文献类型：
--
作者：
Soper, Alan K.
用中子散射和计算机模拟研究了圆柱形石英通道中的水。整个孔隙的密度分布是不均匀的，并且在表面附近达到峰值。在低温下，分布变得不那么均匀，可能类似于无序的冰。显著渗透到二氧化硅表面。方法可以应用于表面处的流体的许多其他实例。限制在MCM 41二氧化硅圆柱形孔的水的结构进行了研究，以确定承压水是否只是一个版本的散装液体，可以基本上过冷没有结晶。总中子散射的多孔二氧化硅，湿的和干的，和计算机模拟使用的散射基板的现实模型的组合。孔隙水分为三个区域：核心区、界面区和超覆区。在这些模拟中水的平均局部密度被发现是约20%低于体积水密度，而在核心区域的密度低于，但更接近，体积密度。当温度从298 K降低到210 K时，局部密度和核心密度都有所下降。这里提出了一个激进的建议，即亲水限制中的水在孔隙内处于显著的张力下，约为-100 MPa。
Water confined in cylindrical silica channels is studied with neutron scattering and computer simulation. Density distribution across the pore is not uniform and peaks near the surface. At low temperatures the distribution becomes less uniform, possibly resembling disordered ice. Significant penetration into silica surface. Methods can be applied to many other instances of fluids at surfaces. The structure of water confined in MCM41 silica cylindrical pores is studied to determine whether confined water is simply a version of the bulk liquid which can be substantially supercooled without crystallisation. A combination of total neutron scattering from the porous silica, both wet and dry, and computer simulation using a realistic model of the scattering substrate is used. The water in the pore is divided into three regions: core, interfacial and overlap. The average local densities of water in these simulations are found to be about 20% lower than bulk water density, while the density in the core region is below, but closer to, the bulk density. There is a decrease in both local and core densities when the temperature is lowered from 298 K to 210 K. The radical proposal is made here that water in hydrophilic confinement is under significant tension, around −100 MPa, inside the pore.
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影响因子：
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作者：
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