Use of average mole volumes of elements for calculation of thermodynamic parameters

Abstract

The possibility of using molecular volumes of substances for prediction of heat capacity, entropy and enthalpy of formation of substances is analyzed. With the help of statistical data processing it is shown that the use of the additive model of average atomic molecular volumes does not reduce the accuracy of the obtained dependences. It is established that the accuracy of such calculations for the entropy and heat capacity of substances is close to the method of volume-based thermodynamics, but is simpler and more universal in use, and a similar dependence for calculating the energy of formation of substances is much less accurate and can be used only for its rough estimation.