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束缚对水结构的影响。

The effect of confinement on water structure.

机构信息

CNR Istituto Sistemi Complessi, via Madonna del Piano 10, I-50019 Sesto Fiorentino (FI), Italy.

出版信息

J Phys Condens Matter. 2010 Oct 13;22(40):404213. doi: 10.1088/0953-8984/22/40/404213. Epub 2010 Sep 22.

Abstract

Neutron diffraction experiments with hydrogen isotope substitution on water confined in MCM41-S15 have been performed at temperatures of 300 and 210 K. Data are analyzed at a microscopic level using a revised version of the empirical potential structure refinement technique. It is found that the influence of the substrate on the water structure is not negligible and depends on the temperature: owing to the geometrical constraints and the symmetry breaking induced by the wall, comparison with the corresponding bulk phases is not straightforward and standard analysis should be replaced by a more suitable one.

摘要

在 300 和 210 K 温度下,对水在 MCM41-S15 中限制时的氢同位素取代进行了中子衍射实验。使用经验势结构精修技术的修订版,在微观水平上对数据进行了分析。结果发现,基底对水结构的影响不可忽略,且依赖于温度:由于几何约束和壁引起的对称破缺,与相应的体相相比,这种影响并不简单,标准分析应该被更合适的分析所取代。

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