CpAppro


The CpAppro program serves to approximate the temperature dependence of the isobaric heatšof solids at all temperatures from 0 K to the compound melting point by singlešequation:

C_{P} \left(T\right)=\sum _{i=1}^{m}\alpha _{i} C_{E} (\theta _{i} /T)

The above equation is a linear combination of thermodynamic functions of the harmonic oscillator (Planck-Einstein functions). This approach is developed as a part of a universal method of approximating temperature dependences of standard thermodynamic properties for crystalline substances. It makes it possible to adequately describe the high precision experimental or tabular thermodynamic properties by harmonic oscillator functions with a unified set of parameters m, ?i, ?i, both at low and high temperatures. The accuracy of such an approximation corresponds to the accuracy of the available experimental and tabular data.

An example of heat capacity approximation with a linear combination of Planck-Einstein functions

In addition to Cp values the CpAppro program enables to calculate the standard entropy of solids at 298.15 K.

Precision of the calculations is characterized by the standard relative approximation errors and the uncertainties of approximation coefficients. Both calculated and experimental values of the isobaric heat capacity are tabulated and plotted by the program.

Gennady F. Voronin, Ilya B. Kutsenok Universal Method for Approximating the Standard Thermodynamic Functions of Solids // J. Chem. Eng. Data 2013, 58, 2083?2094