CALCULATION OF HEAT CAPACITY BY THE METHOD OF NORMAL VIBRATION DISTRIBUTION OVER STRUCTURAL UNITS OF COMPLEX COORDINATION COMPOUNDS |
| 1 | |
| 2012 |
| CHEMISTRY |
| scientific article | 548.76 | ||
| 72-76 | heat capacity of crystals, statistical thermodynamic methods of calculation, normal vibrations, phase transitions, coordination compounds, uranyltricarbonates of alkali metals |
| The method of calculation proposed in this paper takes into account a stepwise contribution of normal vibration
groups to heat capacity. These groups differ in bonds rigidity of structural units of a crystal under study. Calculations
presented in the article were carried out using uranylcarbonates of some alkali metals as an example. Comparison of
experimental and calculated data of heat capacity shows good agreement in the entire investigated area of thermal
stability of compounds including phase transitions. |
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