Models for the Immediate Environment of Ions in Aqueous Solutions of Neodymium Chloride

被引：1

作者：

Smirnov, P. R. ^{[1
]}

Grechin, O. V. ^{[2
]}

机构：

[1] Russian Acad Sci, Krestov Inst Solut Chem, Ivanovo 153045, Russia

[2] Ivanovo State Univ Chem & Technol, Inst Thermodynam & Chem Proc, Ivanovo 153000, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2018年 / 92卷 / 01期

关键词：

aqueous solutions of lanthanides; X-ray diffraction analysis; structure; radial distribution functions; coordination number; interparticle distance; MOLECULAR-DYNAMICS SIMULATION; LANTHANOID(III) IONS; LANTHANIDE IONS; STRUCTURAL PARAMETERS; NEUTRON-DIFFRACTION; HYDRATION; SPECTROSCOPY; COORDINATION; SOLVATION; SERIES;

D O I：

10.1134/S0036024418010259

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Radial distribution functions of neodymium chloride aqueous solutions in a wide range of concentrations under ambient conditions are calculated from experimental data obtained earlier via X-ray diffraction analysis. Different models of the structural organization of the system are developed. The optimum versions are determined by calculating theoretical functions for each model and comparing their fit to the experimental functions. Such quantitative characteristics of the immediate environment of Nd3+ and Cl- ions as coordination numbers, interparticle distances, and varieties of ion pairs are determined. It is shown that the average number of water molecules in the first coordination sphere of the cation falls from 9 to 6.2 as the concentration rises. The structure of the systems over the whole range of concentrations is determined by ion associates of the noncontact type.

引用

页码：79 / 83

页数：5

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