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Estimation of Gibbs Free Energy Functions
Author(s) -
LINDEMER T. B.
Publication year - 1976
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1976.tb09395.x
Subject(s) - gibbs free energy , heat capacity , thermodynamics , carbide , estimation , energy (signal processing) , function (biology) , materials science , mineralogy , chemistry , mathematics , physics , metallurgy , statistics , management , economics , evolutionary biology , biology
A computational method has been derived for the estimation of the molar heat capacity contribution to the Gibbs free energy function (fef T O ) above 298°K. This method, which is based on the observed temperature invariance of certain ratios of the integrals of these molar heat capacity contributions, has been applied to the analysis of fef T O data for metal carbides, nitrides, fluorides, borides, and silicides in the crystalline state. The estimated fef T O for a given compound is more accurate than that obtained by other known estimation techniques and permits a more accurate calculation of ΔG T O than is possible from the commonly used approximation ΔG T O =ΔG 298 O ‐ ΔG 298 O .