The structure and energetics of cryolite melts

被引：0
|
作者：
M. Micov
L. Turi Nagy
D. Tunega
M. Liška
P. Perichta
机构：
[1] Faculty of Chemical Technology,
[2] Slovak Technical University,undefined
[3] Radlinského 9,undefined
[4] SK-812 37 Bratislava,undefined
[5] Slovak Republic,undefined
[6] Institute of Inorganic Chemistry,undefined
[7] Slovak Academy of Sciences,undefined
[8] Dúbravská 9,undefined
[9] SK-842 36 Bratislava,undefined
[10] Slovak Republic,undefined
来源：
Theoretical Chemistry Accounts | 1998年 / 99卷
关键词：
Key words: Ionic melt; Cryolite; Solvation; Density functional theory calculation;
D O I：
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中图分类号：
学科分类号：
摘要：
A method of solvation energy computation is proposed for ions and molecules in the environment of an ionic melt, based on the approximation of the ionic melt as an ideal conductor. The method is used to compute equilibrium constants of some equilibria in cryolite melt. Theoretically obtained results predict that aluminium is bound in tetrafluorocomplexes AlF4−.
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页码：378 / 383
页数：5
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