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The structure and energetics of cryolite melts |
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| Authors: | M Micov L Turi Nagy D Tunega M Liška P Perichta |
| Institution: | (1) Faculty of Chemical Technology, Slovak Technical University, Radlinského 9, SK-812 37 Bratislava, Slovak Republic, XX;(2) Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská 9, SK-842 36 Bratislava, Slovak Republic, XX |
| Abstract: | 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 −. Received: 16 March 1998 / Accepted: 19 June 1998 / Published online: 7 October 1998 |
| Keywords: | : Ionic melt Cryolite Solvation Density functional theory calculation |
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