CNR Istituto Sistemi Complessi, via Madonna del Piano 10, I-50019 Sesto Fiorentino (FI), Italy.
J Phys Condens Matter. 2010 Oct 13;22(40):404213. doi: 10.1088/0953-8984/22/40/404213. Epub 2010 Sep 22.
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.
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。
