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Monte Carlo Calculations on Molten TlCl, TlBr and Til

Chiara Margheritis
Centre» di Studio per la termodinamica ed elettrochlmica dei sistemi salini fusi e solidi del CNR Istituto di Chimica Fisica ed Elettrochimica, Universita di Pavia,
Italy
Z. Naturforsch. Mft, 210—212 (1981);

[received January 14 1981]

Molten TIC1, TlBr and Til were computer simulated at two different temperatures using the interionic pair potentials obtained by Mayer on the corresponding solids. The calculated molar volumes in comparison with the experimental ones show that the simulated molten TlCl and TlBr are only slightly relaxed ( 1—2, 2—3%, respectively ). On the contrary, molten Til is strongly relaxed ( 23—27% ) and behaves as if an important cohesive force like the homopolar one would be lacking.

In recent years, the Monte Carlo (MC) method