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A model for the evaluation of thermodynamic properties for the solid-solid and melting transitions of molecular crystals

✍ Scribed by L.M. Amzel; L.N. Becka

Publisher
Elsevier Science
Year
1968
Tongue
English
Weight
102 KB
Volume
6
Category
Article
ISSN
0038-1098

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We present a new approach to evaluating the intracrystalline thermodynamic properties of solid solutions by combining the molecular dynamics (MD) method and a chemical thermodynamic approach. The coordination type of ions in alkali halide solid solutions (A, B)X is classi5ed into 7 types X n (n ‫؍‬