THE HYDRATION OF IONS IN AQUEOUS-SOLUTION - REVERSE MONTE-CARLO ANALYSIS OF NEUTRON-DIFFRACTION DATA

被引:18
作者
HOWE, MA [1 ]
机构
[1] ARGONNE NATL LAB,DIV CHEM TECHNOL,ARGONNE,IL 60439
关键词
D O I
10.1088/0953-8984/2/3/019
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The reverse Monte Carlo (RMC) technique has been used to model 2m NiCl 2 aqueous solution using as input the results of several neutron diffraction experiments where the technique of isotopic substitution has been used. It is shown that RMC provides a valuable means of analysing such data and that information about the hydration shells, for instance the orientations of water molecules within them, can be obtained.
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页码:741 / 748
页数:8
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