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Thermodynamic stability of hexagonal and cubic ices

✍ Scribed by Hideki Tanaka; Ichiro Okabe

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
425 KB
Volume
259
Category
Article
ISSN
0009-2614

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✦ Synopsis

The thermodynamic stability of hexagonal and cubic ices are examined by evaluating the free energies of those two phases over a wide range of temperature. One hundred proton-disordered configurations are generated for each form of ice, and a lattice dynamics calculation is applied. It is shown that the free energy of hexagonal ice is about 100 J mol -t lower than that of cubic ice, and therefore more stable in the calculated temperature range (53-273 K). This is in agreement with experiment.

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