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Additional info for Introduction to Thermal Analysis Techniques and applications
Merely by packing the atoms closer together to form a liquid or a solid a small amount of VAN DER WAALS energy can still be released. The condensation and crystallization enthalpies being rather small, the magnitude of ∆ G is governed already at relatively low temperatures by the term T ∆ S, and correspondingly the melting and boiling points are low. For all other elements the electronic configuration of a single atom does not correspond to a thermodynamically stable state at normal conditions.
The summation can then be performed rather quickly with a computer. Values for the partial charges of atoms can be derived from quantum mechanical calculations, from the molecular dipole moments and from rotation–vibration spectra. However, often they are not well known. If the contribution of the Coulomb energy cannot be calculated precisely, no reliable lattice energy calculations are possible. ´ED · EA µ kJ mol 1 C¡¡¡ C 2 Fig. 2 Lattice Energy 43 Parameters Bi j , αi j and Ci j for light atoms have been listed by G AVEZZOTI .
1 Rotation of the coordination octahedra during the second-order phase transition of CaCl2 a CaCl2 a b 217 Æ C (rutile type), P 42 m n m 637 9 pm, c 419 3 pm at 247 Æ C a CaCl2 17 Æ C, P n n m 625 9 pm, b 644 4 pm, c 417 0 pm 1. Reconstructive phase transitions: Chemical bonds are broken and rejoined; the reconstruction involves considerable atomic movements. Such conversions are always first-order transitions. 2. g. hydrogen bonds) are broken and rejoined, but no primary chemical bonds. The transition may be but need not be a second-order transition.