Correlation model to estimate the thermodynamic properties

Abstract

A technique for constructing the correlation dependencies of the thermodynamic properties of similar compounds was proposed. This technique is based on the Taylor expansion in the supposed analytic relationship between properties. The constructed correlation dependencies were used to estimate the thermodynamic properties of the condensed bromides and iodides of hafnium HfGn (G [Formula: see text] Br, I and [Formula: see text], 2, 3, 4) and the compounds formed in the PbO–SiO2 system. Standard formation enthalpy [Formula: see text], entropy [Formula: see text], heat capacity [Formula: see text] and temperature dependencies [Formula: see text] at temperatures T[Formula: see text][Formula: see text]k to 3000[Formula: see text]k were estimated. The standard estimation error of the thermodynamic properties of the compounds in the PbO–SiO2 system does not exceed 2% for all the estimated properties. For condensed halides, the standard estimation error was (1) [Formula: see text]% for enthalpy, (2) [Formula: see text]% for entropy, (3) [Formula: see text]% for heat capacity.