A SIMPLE LATTICE MODEL FOR THE MIXING PROPERTIES OF MOLTEN K(X)(KCL)(1-X) SOLUTIONS

Citation
M. Dijkstra et al., A SIMPLE LATTICE MODEL FOR THE MIXING PROPERTIES OF MOLTEN K(X)(KCL)(1-X) SOLUTIONS, Journal of physics. Condensed matter, 6(11), 1994, pp. 2129-2136
Citations number
11
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
09538984
Volume
6
Issue
11
Year of publication
1994
Pages
2129 - 2136
Database
ISI
SICI code
0953-8984(1994)6:11<2129:ASLMFT>2.0.ZU;2-W
Abstract
A very simple lattice model is presented for mixtures of alkali metals and alkali halides, like Kx(KCl)1-x. The valence electrons are assume d to be excluded from the Wigner-Seitz spheres associated with the ani ons, while they are uniformly distributed over the cation Wigner-Seitz spheres. The calculated excess volume of mixing turns out to be posit ive over most of the concentration range, in qualitative agreement wit h experiment, provided the surface energy of the electrons, associated with the boundary of the anion Wigner-Seitz spheres, is taken into ac count. The results of this model differ considerably from earlier pred ictions based on linear electron screening theory.