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Estimation of the lattice entropy of rare‐earth compounds
Author(s) -
ZhiYing Zhang
Publication year - 1984
Publication title -
acta chimica sinica english edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 0256-7660
DOI - 10.1002/cjoc.19840020202
Subject(s) - chemistry , isostructural , rare earth , entropy (arrow of time) , lattice (music) , thermodynamics , standard molar entropy , entropy estimation , statistical physics , crystal structure , mineralogy , statistics , crystallography , mathematics , standard enthalpy of formation , physics , estimator , acoustics
Resolution of excess entropy of many types of transitions and estimation of standard entropy at 298.15K of compounds, for which experimental entropies have not yet been measured, depend on a reliable estimation of the lattice entropy. By taking into account the effects of cation mass and molar volume of the rare‐earth compounds, the following formula is proposed\documentclass{article}\pagestyle{empty}\begin{document}$$ S_{298.15}^0 = S_{{{\rm ref}}}^0 + \frac{3} {2}n_1 ^\prime\cdot R \cdot \ln \frac{M} {{M_{{{\rm ref}}} }} + \frac{3} {2}n_2 \cdot R \cdot \ln \frac{V} {{V_{{{\rm ref}}} }} $$\end{document}for the estimation of the lattice entropy of isostructural iso‐anionic rare‐earth compounds. We have investigated 32 compounds, and found good agreements between estimated and experimental entropies.