M. Rosner-kuhn et al., Calculation of the entropy of fusion for the group IVb metals titanium, zirconium, and hafnium by the vacancy theory, Z METALLKUN, 91(10), 2000, pp. 838-841
The vacancy theory for the description of the melting process of pure metal
s is applied to the IVb group metals titanium, zirconium, and hafnium. The
total entropy change of the solid-liquid transition is divided into contrib
utions coming from the interactional, configurational, volume, and vibratio
nal changes. In order to calculate the named contributions the following pr
operties are used: the change in the molar volume at the melting point, the
thermal volume expansion coefficient and the bulk modulus of the solid pha
se, the enthalpy and entropy of vacancy formation, the coordination numbers
in the solid and the liquid state, and finally, the enthalpy of fusion. Th
e values obtained for the entropy of fusion in J . mol(-1).K-1 are: titaniu
m 6.98; zirconium 7.86; hafnium 8.30. The results are in good agreement wit
h experimental values obtained by enthalpy measurements on the solid and li
quid phases of these metals by levitation drop calorimetry.