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Modeling molten CuCl and AgI in the mean spherical approximation

✍ Scribed by Imre Ruff; András Baranyai; Orest A. Pizio

Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
376 KB
Volume
150
Category
Article
ISSN
0009-2614

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✦ Synopsis

Calculations based on a semi-empirical mean spherical approximation are reported which treat vacancies as phantom particles together with real particles. The role of the phantom component is to increase the packing fraction which, indirectly, stiffens the subsystem of the large "immobile" ions. The smeared-out nature of the "mobile" ions, occupying interstitial and lattice positions with almost equal probability, is modelled by assuming that only a fraction of their ionic charge is carried by them, while the rest necessary for the electroneutrality condition is put onto the phantom particles. Partial pair correlation functions calculated for molten CuCl and AgI show good agreement with experimental ones.

📜 SIMILAR VOLUMES

Pair correlation functions for the asymm
Pair correlation functions for the asymmetric ion-dipole model in the mean spherical approximation
✍ M.F. Golovko; I.A. Protsykevich 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 328 KB

General expressions for the Baxter factor correlation functions are obtained in the mean spherical approximation for a mixture of hard ions of arbitrary size and charge in a dipolar solvent. A method for the calculation of the total correlation functions for the model considered is proposed.